[3-(aziridin-1-ylmethyl)cyclohexyl]methanamine

C10H20N2 — CID 147678313

IUPAC[3-(aziridin-1-ylmethyl)cyclohexyl]methanamine
SMILESNCC1CCCC(CN2CC2)C1
InChIInChI=1S/C10H20N2/c11-7-9-2-1-3-10(6-9)8-12-4-5-12/h9-10H,1-8,11H2
InChIKeyGOPHLBGAJCPMPN-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.07
Rot. Bonds3

About [3-(aziridin-1-ylmethyl)cyclohexyl]methanamine

[3-(aziridin-1-ylmethyl)cyclohexyl]methanamine (PubChem CID 147678313) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is [3-(aziridin-1-ylmethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-(aziridin-1-ylmethyl)cyclohexyl]methanamine
PubChem CID147678313
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name[3-(aziridin-1-ylmethyl)cyclohexyl]methanamine
SMILESNCC1CCCC(CN2CC2)C1
InChIInChI=1S/C10H20N2/c11-7-9-2-1-3-10(6-9)8-12-4-5-12/h9-10H,1-8,11H2
InChIKeyGOPHLBGAJCPMPN-UHFFFAOYSA-N
XLogP1.07
TPSA29.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(1S,3S)-3-(aminomethyl)cyclohexyl]methanamine
CID 6951512
3-(piperidin-1-ylmethyl)cyclohexan-1-amine
CID 63044906
1-(cyclobutylmethyl)azetidine
CID 89347168
[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837602
[(1R,3R)-3-(aminomethyl)cyclohexyl]methanol
CID 124563459
3-[(4-ethyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine
CID 167776529
3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 63045605
[(1S,3R)-3-(aminomethyl)cyclohexyl]methanol;hydrochloride
CID 134690925
[1-(cyclopropylmethyl)piperidin-4-yl]methanamine;hydrochloride
CID 163375972
3-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 106131519
[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methanamine
CID 42253697
[3-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine
CID 165456465

Frequently Asked Questions

What is the IUPAC name of [3-(aziridin-1-ylmethyl)cyclohexyl]methanamine?
The IUPAC name of [3-(aziridin-1-ylmethyl)cyclohexyl]methanamine (CID 147678313) is [3-(aziridin-1-ylmethyl)cyclohexyl]methanamine.
What is the SMILES notation for [3-(aziridin-1-ylmethyl)cyclohexyl]methanamine?
The canonical SMILES for [3-(aziridin-1-ylmethyl)cyclohexyl]methanamine is NCC1CCCC(CN2CC2)C1.
What is the InChIKey of [3-(aziridin-1-ylmethyl)cyclohexyl]methanamine?
The InChIKey is GOPHLBGAJCPMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c11-7-9-2-1-3-10(6-9)8-12-4-5-12/h9-10H,1-8,11H2.
What are the key properties of [3-(aziridin-1-ylmethyl)cyclohexyl]methanamine?
[3-(aziridin-1-ylmethyl)cyclohexyl]methanamine has a molecular weight of 168.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aziridin-1-ylmethyl)cyclohexyl]methanamine is sourced from PubChem (CID 147678313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).