(1R)-N,N-dimethyl-N'-[(4-methylcyclohexyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

C16H30N4 — CID 97329473

IUPAC(1R)-N,N-dimethyl-N'-[(4-methylcyclohexyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCC1CCC(CNC[C@@H](c2cnn(C)c2)N(C)C)CC1
InChIInChI=1S/C16H30N4/c1-13-5-7-14(8-6-13)9-17-11-16(19(2)3)15-10-18-20(4)12-15/h10,12-14,16-17H,5-9,11H2,1-4H3/t13?,14?,16-/m0/s1
InChIKeyVLWYVSFJADFVQL-XUJLQICISA-N
MW278.44 g/mol
LogP2.44
Rot. Bonds6

About (1R)-N,N-dimethyl-N'-[(4-methylcyclohexyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

(1R)-N,N-dimethyl-N'-[(4-methylcyclohexyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 97329473) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is (1R)-N,N-dimethyl-N'-[(4-methylcyclohexyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-N,N-dimethyl-N'-[(4-methylcyclohexyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID97329473
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name(1R)-N,N-dimethyl-N'-[(4-methylcyclohexyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCC1CCC(CNC[C@@H](c2cnn(C)c2)N(C)C)CC1
InChIInChI=1S/C16H30N4/c1-13-5-7-14(8-6-13)9-17-11-16(19(2)3)15-10-18-20(4)12-15/h10,12-14,16-17H,5-9,11H2,1-4H3/t13?,14?,16-/m0/s1
InChIKeyVLWYVSFJADFVQL-XUJLQICISA-N
XLogP2.44
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-N,N-dimethyl-N'-[(4-methylcyclohexyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine with MolForge

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Related Compounds

2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 61055041
(2R,3R)-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
CID 99831027
1-cyclohexyl-3-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-methylguanidine
CID 111790294
ethyl 3-(dimethylamino)-3-(1-methylpyrazol-4-yl)propanoate
CID 64541804
3-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-1-methylurea
CID 124737436
1-(cyclopropylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-methylguanidine
CID 119141995
N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-pyrazin-2-ylethane-1,2-diamine
CID 133306662
(1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4R)-8-oxaspiro[4.5]decan-4-yl]ethane-1,2-diamine
CID 100738226
(4aS,8aR)-N-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 100906866
4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532822
4-(adamantane-1-carbonyl)-N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
CID 86970486
N-[(2S)-4-[[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 95980508

Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-dimethyl-N'-[(4-methylcyclohexyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of (1R)-N,N-dimethyl-N'-[(4-methylcyclohexyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 97329473) is (1R)-N,N-dimethyl-N'-[(4-methylcyclohexyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-N,N-dimethyl-N'-[(4-methylcyclohexyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for (1R)-N,N-dimethyl-N'-[(4-methylcyclohexyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is CC1CCC(CNC[C@@H](c2cnn(C)c2)N(C)C)CC1.
What is the InChIKey of (1R)-N,N-dimethyl-N'-[(4-methylcyclohexyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is VLWYVSFJADFVQL-XUJLQICISA-N. The full InChI is InChI=1S/C16H30N4/c1-13-5-7-14(8-6-13)9-17-11-16(19(2)3)15-10-18-20(4)12-15/h10,12-14,16-17H,5-9,11H2,1-4H3/t13?,14?,16-/m0/s1.
What are the key properties of (1R)-N,N-dimethyl-N'-[(4-methylcyclohexyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
(1R)-N,N-dimethyl-N'-[(4-methylcyclohexyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,N-dimethyl-N'-[(4-methylcyclohexyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 97329473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).