1-(aminomethyl)-N-(3-methoxypropyl)-N,2,3-trimethylcyclohexan-1-amine

C14H30N2O — CID 64762965

IUPAC1-(aminomethyl)-N-(3-methoxypropyl)-N,2,3-trimethylcyclohexan-1-amine
SMILESCOCCCN(C)C1(CN)CCCC(C)C1C
InChIInChI=1S/C14H30N2O/c1-12-7-5-8-14(11-15,13(12)2)16(3)9-6-10-17-4/h12-13H,5-11,15H2,1-4H3
InChIKeyYIAPMJUJPOIAKH-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.11
Rot. Bonds6

About 1-(aminomethyl)-N-(3-methoxypropyl)-N,2,3-trimethylcyclohexan-1-amine

1-(aminomethyl)-N-(3-methoxypropyl)-N,2,3-trimethylcyclohexan-1-amine (PubChem CID 64762965) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-methoxypropyl)-N,2,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-methoxypropyl)-N,2,3-trimethylcyclohexan-1-amine
PubChem CID64762965
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-(aminomethyl)-N-(3-methoxypropyl)-N,2,3-trimethylcyclohexan-1-amine
SMILESCOCCCN(C)C1(CN)CCCC(C)C1C
InChIInChI=1S/C14H30N2O/c1-12-7-5-8-14(11-15,13(12)2)16(3)9-6-10-17-4/h12-13H,5-11,15H2,1-4H3
InChIKeyYIAPMJUJPOIAKH-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-(3-methoxypropyl)-N,2-dimethylcyclopentan-1-amine
CID 65045108
1-(aminomethyl)-N-(cyclopentylmethyl)-N,2,3-trimethylcyclohexan-1-amine
CID 64763172
1-(aminomethyl)-N-(3-methoxypropyl)-N,4-dimethylcyclohexan-1-amine
CID 62006737
1-(aminomethyl)-N-(3-methoxypropyl)-N,4,4-trimethylcycloheptan-1-amine
CID 65088133
1-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylcyclopentan-1-amine
CID 81059701
1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylcyclopentan-1-amine
CID 65044842
1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-2-methylcyclopentan-1-amine
CID 65044888
1-(aminomethyl)-N-(4-methoxybutyl)-N-methylcyclopentan-1-amine
CID 104647259
1-(aminomethyl)-N,2-dimethyl-N-propylcyclopentan-1-amine
CID 65045561
N'-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine
CID 65045165
1-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,2,3-trimethylcyclohexan-1-amine
CID 64762340
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 115453845

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-methoxypropyl)-N,2,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(3-methoxypropyl)-N,2,3-trimethylcyclohexan-1-amine (CID 64762965) is 1-(aminomethyl)-N-(3-methoxypropyl)-N,2,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(3-methoxypropyl)-N,2,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(3-methoxypropyl)-N,2,3-trimethylcyclohexan-1-amine is COCCCN(C)C1(CN)CCCC(C)C1C.
What is the InChIKey of 1-(aminomethyl)-N-(3-methoxypropyl)-N,2,3-trimethylcyclohexan-1-amine?
The InChIKey is YIAPMJUJPOIAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12-7-5-8-14(11-15,13(12)2)16(3)9-6-10-17-4/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-(3-methoxypropyl)-N,2,3-trimethylcyclohexan-1-amine?
1-(aminomethyl)-N-(3-methoxypropyl)-N,2,3-trimethylcyclohexan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-methoxypropyl)-N,2,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64762965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).