4-[amino(methyl)amino]cyclohexan-1-amine

C7H17N3 — CID 131970686

IUPAC4-[amino(methyl)amino]cyclohexan-1-amine
SMILESCN(N)C1CCC(N)CC1
InChIInChI=1S/C7H17N3/c1-10(9)7-4-2-6(8)3-5-7/h6-7H,2-5,8-9H2,1H3
InChIKeyGSOIELVTZHBBIL-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.06
Rot. Bonds1

About 4-[amino(methyl)amino]cyclohexan-1-amine

4-[amino(methyl)amino]cyclohexan-1-amine (PubChem CID 131970686) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-[amino(methyl)amino]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[amino(methyl)amino]cyclohexan-1-amine
PubChem CID131970686
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name4-[amino(methyl)amino]cyclohexan-1-amine
SMILESCN(N)C1CCC(N)CC1
InChIInChI=1S/C7H17N3/c1-10(9)7-4-2-6(8)3-5-7/h6-7H,2-5,8-9H2,1H3
InChIKeyGSOIELVTZHBBIL-UHFFFAOYSA-N
XLogP0.06
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N,4-N-dimethylcyclohexane-1,4-diamine;dihydrate
CID 175142686
1-[[(4-aminocyclohexyl)-methylamino]methyl]cyclopropan-1-ol
CID 172599097
4-N,4-N-bis(4-aminocyclohexyl)cyclohexane-1,4-diamine
CID 146391384
4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62807255
4-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine
CID 18419789
4-N,4-N-dimethylcyclohexane-1,4-diamine;4-methylcyclohexan-1-amine;N,N,4-trimethylcyclohexan-1-amine
CID 160976846
4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine
CID 62808155
4-N-(1-adamantylmethyl)-4-N-methylcyclohexane-1,4-diamine
CID 79113300
4-N-methyl-4-N-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
CID 79121688
4-N-(2-chloroprop-2-enyl)-4-N-methylcyclohexane-1,4-diamine
CID 79120943
4-N-(2-ethylsulfonylethyl)-4-N-methylcyclohexane-1,4-diamine
CID 79121429
4-N-(2-ethylsulfanylethyl)-4-N-methylcyclohexane-1,4-diamine
CID 115741540

Frequently Asked Questions

What is the IUPAC name of 4-[amino(methyl)amino]cyclohexan-1-amine?
The IUPAC name of 4-[amino(methyl)amino]cyclohexan-1-amine (CID 131970686) is 4-[amino(methyl)amino]cyclohexan-1-amine.
What is the SMILES notation for 4-[amino(methyl)amino]cyclohexan-1-amine?
The canonical SMILES for 4-[amino(methyl)amino]cyclohexan-1-amine is CN(N)C1CCC(N)CC1.
What is the InChIKey of 4-[amino(methyl)amino]cyclohexan-1-amine?
The InChIKey is GSOIELVTZHBBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-10(9)7-4-2-6(8)3-5-7/h6-7H,2-5,8-9H2,1H3.
What are the key properties of 4-[amino(methyl)amino]cyclohexan-1-amine?
4-[amino(methyl)amino]cyclohexan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(methyl)amino]cyclohexan-1-amine is sourced from PubChem (CID 131970686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).