1-(aminomethyl)-N-(4-methoxyphenyl)-N,4-dimethylcycloheptan-1-amine

C17H28N2O — CID 65085251

IUPAC1-(aminomethyl)-N-(4-methoxyphenyl)-N,4-dimethylcycloheptan-1-amine
SMILESCOc1ccc(N(C)C2(CN)CCCC(C)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-14-5-4-11-17(13-18,12-10-14)19(2)15-6-8-16(20-3)9-7-15/h6-9,14H,4-5,10-13,18H2,1-3H3
InChIKeyRVFGZZGTDXAQEO-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.43
Rot. Bonds4

About 1-(aminomethyl)-N-(4-methoxyphenyl)-N,4-dimethylcycloheptan-1-amine

1-(aminomethyl)-N-(4-methoxyphenyl)-N,4-dimethylcycloheptan-1-amine (PubChem CID 65085251) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-methoxyphenyl)-N,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-methoxyphenyl)-N,4-dimethylcycloheptan-1-amine
PubChem CID65085251
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(aminomethyl)-N-(4-methoxyphenyl)-N,4-dimethylcycloheptan-1-amine
SMILESCOc1ccc(N(C)C2(CN)CCCC(C)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-14-5-4-11-17(13-18,12-10-14)19(2)15-6-8-16(20-3)9-7-15/h6-9,14H,4-5,10-13,18H2,1-3H3
InChIKeyRVFGZZGTDXAQEO-UHFFFAOYSA-N
XLogP3.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(aminomethyl)-3-methoxycyclohexyl]-4-methoxy-N-methylaniline
CID 106872402
N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4-methoxy-N-methylaniline
CID 63464881
1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine
CID 65085240
1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 62006924
1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 9161377
N-[1-(aminomethyl)cyclopropyl]-3-methoxy-N-methylaniline
CID 106661172
1-(aminomethyl)-N-methyl-N-phenyl-4-propylcycloheptan-1-amine
CID 65091488
1-(aminomethyl)-N,4-dimethyl-N-propylcycloheptan-1-amine
CID 65084771
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methoxy-N-methylaniline
CID 62261141
1-(aminomethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]cycloheptan-1-amine
CID 65084666
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxyphenyl)methanone
CID 116604118
1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene
CID 70921631

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-methoxyphenyl)-N,4-dimethylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(4-methoxyphenyl)-N,4-dimethylcycloheptan-1-amine (CID 65085251) is 1-(aminomethyl)-N-(4-methoxyphenyl)-N,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(4-methoxyphenyl)-N,4-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(4-methoxyphenyl)-N,4-dimethylcycloheptan-1-amine is COc1ccc(N(C)C2(CN)CCCC(C)CC2)cc1.
What is the InChIKey of 1-(aminomethyl)-N-(4-methoxyphenyl)-N,4-dimethylcycloheptan-1-amine?
The InChIKey is RVFGZZGTDXAQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-5-4-11-17(13-18,12-10-14)19(2)15-6-8-16(20-3)9-7-15/h6-9,14H,4-5,10-13,18H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(4-methoxyphenyl)-N,4-dimethylcycloheptan-1-amine?
1-(aminomethyl)-N-(4-methoxyphenyl)-N,4-dimethylcycloheptan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-methoxyphenyl)-N,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65085251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).