N'-[[5-(4,4-dimethylcyclohexyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;formaldehyde;2-methoxy-N-methylethanamine

C20H41N5O2 — CID 145047902

IUPACN'-[[5-(4,4-dimethylcyclohexyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;formaldehyde;2-methoxy-N-methylethanamine
SMILESC=O.CN(CCN)Cc1cn[nH]c1C1CCC(C)(C)CC1.CNCCOC
InChIInChI=1S/C15H28N4.C4H11NO.CH2O/c1-15(2)6-4-12(5-7-15)14-13(10-17-18-14)11-19(3)9-8-16;1-5-3-4-6-2;1-2/h10,12H,4-9,11,16H2,1-3H3,(H,17,18);5H,3-4H2,1-2H3;1H2
InChIKeySWKIXYZVYMMILW-UHFFFAOYSA-N
MW383.58 g/mol
LogP2.15
Rot. Bonds8

About N'-[[5-(4,4-dimethylcyclohexyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;formaldehyde;2-methoxy-N-methylethanamine

N'-[[5-(4,4-dimethylcyclohexyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;formaldehyde;2-methoxy-N-methylethanamine (PubChem CID 145047902) has the molecular formula C20H41N5O2 and a molecular weight of 383.58 g/mol. Its IUPAC name is N'-[[5-(4,4-dimethylcyclohexyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;formaldehyde;2-methoxy-N-methylethanamine.

Molecular Properties

Compound NameN'-[[5-(4,4-dimethylcyclohexyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;formaldehyde;2-methoxy-N-methylethanamine
PubChem CID145047902
Molecular FormulaC20H41N5O2
Molecular Weight383.58 g/mol
Exact Mass383.33
IUPAC NameN'-[[5-(4,4-dimethylcyclohexyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;formaldehyde;2-methoxy-N-methylethanamine
SMILESC=O.CN(CCN)Cc1cn[nH]c1C1CCC(C)(C)CC1.CNCCOC
InChIInChI=1S/C15H28N4.C4H11NO.CH2O/c1-15(2)6-4-12(5-7-15)14-13(10-17-18-14)11-19(3)9-8-16;1-5-3-4-6-2;1-2/h10,12H,4-9,11,16H2,1-3H3,(H,17,18);5H,3-4H2,1-2H3;1H2
InChIKeySWKIXYZVYMMILW-UHFFFAOYSA-N
XLogP2.15
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethyl-N'-[(5-spiro[2.5]octan-6-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 118688387
N'-[[5-(4,4-dimethylcyclohexyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N-(3-methylbutyl)formamide
CID 145047927
(1S)-N-(2-methoxyethyl)-2,2-dimethyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexane-1-carboxamide
CID 152875041
N,N'-dimethyl-N'-[(5-spiro[5.5]undecan-3-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 118685676
N'-[[5-(1,1-dimethyl-2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 90461186
3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 118688358
N,N'-dimethyl-N'-[[5-(2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 118685683
N,N'-dimethyl-N'-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 118685680
N'-[[5-[4-(methoxymethyl)-4-(oxan-4-yloxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 118971580
N'-[[5-[3-(ethoxymethyl)-5-(methoxymethyl)-4,4-dimethylcyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 118688464
N'-[[5-[4,4-dimethyl-3,5-bis(propoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 118688389
(2S,5R)-2-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]spiro[5.5]undecan-5-ol
CID 118674247

Frequently Asked Questions

What is the IUPAC name of N'-[[5-(4,4-dimethylcyclohexyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;formaldehyde;2-methoxy-N-methylethanamine?
The IUPAC name of N'-[[5-(4,4-dimethylcyclohexyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;formaldehyde;2-methoxy-N-methylethanamine (CID 145047902) is N'-[[5-(4,4-dimethylcyclohexyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;formaldehyde;2-methoxy-N-methylethanamine.
What is the SMILES notation for N'-[[5-(4,4-dimethylcyclohexyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;formaldehyde;2-methoxy-N-methylethanamine?
The canonical SMILES for N'-[[5-(4,4-dimethylcyclohexyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;formaldehyde;2-methoxy-N-methylethanamine is C=O.CN(CCN)Cc1cn[nH]c1C1CCC(C)(C)CC1.CNCCOC.
What is the InChIKey of N'-[[5-(4,4-dimethylcyclohexyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;formaldehyde;2-methoxy-N-methylethanamine?
The InChIKey is SWKIXYZVYMMILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4.C4H11NO.CH2O/c1-15(2)6-4-12(5-7-15)14-13(10-17-18-14)11-19(3)9-8-16;1-5-3-4-6-2;1-2/h10,12H,4-9,11,16H2,1-3H3,(H,17,18);5H,3-4H2,1-2H3;1H2.
What are the key properties of N'-[[5-(4,4-dimethylcyclohexyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;formaldehyde;2-methoxy-N-methylethanamine?
N'-[[5-(4,4-dimethylcyclohexyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;formaldehyde;2-methoxy-N-methylethanamine has a molecular weight of 383.58 g/mol, XLogP of 2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-(4,4-dimethylcyclohexyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;formaldehyde;2-methoxy-N-methylethanamine is sourced from PubChem (CID 145047902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).