1-(aminomethyl)-N-methyl-N-phenyl-4-propylcycloheptan-1-amine

C18H30N2 — CID 65091488

IUPAC1-(aminomethyl)-N-methyl-N-phenyl-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(CN)(N(C)c2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-3-8-16-9-7-13-18(15-19,14-12-16)20(2)17-10-5-4-6-11-17/h4-6,10-11,16H,3,7-9,12-15,19H2,1-2H3
InChIKeyYOSFQDCSLGKELB-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.20
Rot. Bonds5

About 1-(aminomethyl)-N-methyl-N-phenyl-4-propylcycloheptan-1-amine

1-(aminomethyl)-N-methyl-N-phenyl-4-propylcycloheptan-1-amine (PubChem CID 65091488) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-phenyl-4-propylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-phenyl-4-propylcycloheptan-1-amine
PubChem CID65091488
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(aminomethyl)-N-methyl-N-phenyl-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(CN)(N(C)c2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-3-8-16-9-7-13-18(15-19,14-12-16)20(2)17-10-5-4-6-11-17/h4-6,10-11,16H,3,7-9,12-15,19H2,1-2H3
InChIKeyYOSFQDCSLGKELB-UHFFFAOYSA-N
XLogP4.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine
CID 65089283
1-(aminomethyl)-N-cyclohexyl-N-methyl-4-propylcycloheptan-1-amine
CID 65091681
8-(aminomethyl)-N-methyl-N-phenylspiro[4.5]decan-8-amine
CID 114818000
1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-propylcycloheptan-1-amine
CID 65089385
1-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 62861295
1-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 63631397
1-(aminomethyl)-N-(1-phenylethyl)-4-propylcycloheptan-1-amine
CID 65193341
1-(aminomethyl)-N-benzyl-4-propylcycloheptan-1-amine
CID 65384430
1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcycloheptan-1-amine
CID 79477400
1-(aminomethyl)-N-(4-methoxyphenyl)-N,4-dimethylcycloheptan-1-amine
CID 65085251
1-(aminomethyl)-4-benzyl-N,N-dimethylcyclohexan-1-amine
CID 20527639
1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 60916311

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-phenyl-4-propylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-phenyl-4-propylcycloheptan-1-amine (CID 65091488) is 1-(aminomethyl)-N-methyl-N-phenyl-4-propylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-phenyl-4-propylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-phenyl-4-propylcycloheptan-1-amine is CCCC1CCCC(CN)(N(C)c2ccccc2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-phenyl-4-propylcycloheptan-1-amine?
The InChIKey is YOSFQDCSLGKELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-8-16-9-7-13-18(15-19,14-12-16)20(2)17-10-5-4-6-11-17/h4-6,10-11,16H,3,7-9,12-15,19H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-phenyl-4-propylcycloheptan-1-amine?
1-(aminomethyl)-N-methyl-N-phenyl-4-propylcycloheptan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-phenyl-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65091488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).