1-(aminomethyl)-N-(3-methoxypropyl)-N,4,4-trimethylcycloheptan-1-amine

C15H32N2O — CID 65088133

IUPAC1-(aminomethyl)-N-(3-methoxypropyl)-N,4,4-trimethylcycloheptan-1-amine
SMILESCOCCCN(C)C1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C15H32N2O/c1-14(2)7-5-8-15(13-16,10-9-14)17(3)11-6-12-18-4/h5-13,16H2,1-4H3
InChIKeyPJSOTIZXQHIPKQ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.64
Rot. Bonds6

About 1-(aminomethyl)-N-(3-methoxypropyl)-N,4,4-trimethylcycloheptan-1-amine

1-(aminomethyl)-N-(3-methoxypropyl)-N,4,4-trimethylcycloheptan-1-amine (PubChem CID 65088133) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-methoxypropyl)-N,4,4-trimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-methoxypropyl)-N,4,4-trimethylcycloheptan-1-amine
PubChem CID65088133
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-(aminomethyl)-N-(3-methoxypropyl)-N,4,4-trimethylcycloheptan-1-amine
SMILESCOCCCN(C)C1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C15H32N2O/c1-14(2)7-5-8-15(13-16,10-9-14)17(3)11-6-12-18-4/h5-13,16H2,1-4H3
InChIKeyPJSOTIZXQHIPKQ-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.64
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-(4-methoxybutyl)-N-methylcyclopentan-1-amine
CID 104647259
1-(aminomethyl)-N,N-bis(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine
CID 65088170
1-(aminomethyl)-N,4,4-trimethyl-N-(2-propan-2-yloxyethyl)cycloheptan-1-amine
CID 81059110
1-(aminomethyl)-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine
CID 61427409
1-(aminomethyl)-N-(3-methoxypropyl)-N,4-dimethylcyclohexan-1-amine
CID 62006737
1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine
CID 65088073
1-(aminomethyl)-N,4,4-trimethyl-N-(3-methylbutyl)cycloheptan-1-amine
CID 65088221
1-(aminomethyl)-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine
CID 65176468
1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cycloheptan-1-amine
CID 79849786
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclobutan-1-amine
CID 79520557
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclopropan-1-amine
CID 106661140
1-(aminomethyl)-N-(3-fluoropropyl)-N-methylcyclopentan-1-amine
CID 81106189

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-methoxypropyl)-N,4,4-trimethylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(3-methoxypropyl)-N,4,4-trimethylcycloheptan-1-amine (CID 65088133) is 1-(aminomethyl)-N-(3-methoxypropyl)-N,4,4-trimethylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(3-methoxypropyl)-N,4,4-trimethylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(3-methoxypropyl)-N,4,4-trimethylcycloheptan-1-amine is COCCCN(C)C1(CN)CCCC(C)(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-methoxypropyl)-N,4,4-trimethylcycloheptan-1-amine?
The InChIKey is PJSOTIZXQHIPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-14(2)7-5-8-15(13-16,10-9-14)17(3)11-6-12-18-4/h5-13,16H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-(3-methoxypropyl)-N,4,4-trimethylcycloheptan-1-amine?
1-(aminomethyl)-N-(3-methoxypropyl)-N,4,4-trimethylcycloheptan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.64, 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,4,4-trimethylcycloheptan-1-amine is sourced from PubChem (CID 65088133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).