N'-methyl-N-(3-methylcyclohexyl)-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine

C15H28N4 — CID 62556838

IUPACN'-methyl-N-(3-methylcyclohexyl)-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCC1CCCC(NCCN(C)Cc2cnn(C)c2)C1
InChIInChI=1S/C15H28N4/c1-13-5-4-6-15(9-13)16-7-8-18(2)11-14-10-17-19(3)12-14/h10,12-13,15-16H,4-9,11H2,1-3H3
InChIKeyAEJYSQGUOMUWBV-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.02
Rot. Bonds6

About N'-methyl-N-(3-methylcyclohexyl)-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine

N'-methyl-N-(3-methylcyclohexyl)-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 62556838) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N'-methyl-N-(3-methylcyclohexyl)-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(3-methylcyclohexyl)-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID62556838
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN'-methyl-N-(3-methylcyclohexyl)-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCC1CCCC(NCCN(C)Cc2cnn(C)c2)C1
InChIInChI=1S/C15H28N4/c1-13-5-4-6-15(9-13)16-7-8-18(2)11-14-10-17-19(3)12-14/h10,12-13,15-16H,4-9,11H2,1-3H3
InChIKeyAEJYSQGUOMUWBV-UHFFFAOYSA-N
XLogP2.02
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N-(3-methylcyclohexyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62560432
N'-[(4-bromophenyl)methyl]-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 63502762
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61442014
3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine
CID 115653177
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propylethane-1,2-diamine
CID 61441962
N,N,N'-trimethyl-N'-[2-[(3-methylcyclohexyl)amino]ethyl]propane-1,3-diamine
CID 63726355
N'-(4-fluorophenyl)-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62554580
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine
CID 61441963
N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
N-methyl-1-(4-methylpiperidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 114421337
N'-cyclopentyl-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62576013
N-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196200

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(3-methylcyclohexyl)-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(3-methylcyclohexyl)-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine (CID 62556838) is N'-methyl-N-(3-methylcyclohexyl)-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(3-methylcyclohexyl)-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(3-methylcyclohexyl)-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine is CC1CCCC(NCCN(C)Cc2cnn(C)c2)C1.
What is the InChIKey of N'-methyl-N-(3-methylcyclohexyl)-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is AEJYSQGUOMUWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-13-5-4-6-15(9-13)16-7-8-18(2)11-14-10-17-19(3)12-14/h10,12-13,15-16H,4-9,11H2,1-3H3.
What are the key properties of N'-methyl-N-(3-methylcyclohexyl)-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine?
N'-methyl-N-(3-methylcyclohexyl)-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 264.42 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(3-methylcyclohexyl)-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62556838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).