[3,3-dimethyl-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclopentyl]methanamine

C18H28N2 — CID 80705344

IUPAC[3,3-dimethyl-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclopentyl]methanamine
SMILESCC1(C)CCC(CN)(N2CCc3ccccc3CC2)C1
InChIInChI=1S/C18H28N2/c1-17(2)9-10-18(13-17,14-19)20-11-7-15-5-3-4-6-16(15)8-12-20/h3-6H,7-14,19H2,1-2H3
InChIKeyAUNSBIKVQSZJMC-UHFFFAOYSA-N
MW272.44 g/mol
LogP2.99
Rot. Bonds2

About [3,3-dimethyl-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclopentyl]methanamine

[3,3-dimethyl-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclopentyl]methanamine (PubChem CID 80705344) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is [3,3-dimethyl-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[3,3-dimethyl-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclopentyl]methanamine
PubChem CID80705344
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name[3,3-dimethyl-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclopentyl]methanamine
SMILESCC1(C)CCC(CN)(N2CCc3ccccc3CC2)C1
InChIInChI=1S/C18H28N2/c1-17(2)9-10-18(13-17,14-19)20-11-7-15-5-3-4-6-16(15)8-12-20/h3-6H,7-14,19H2,1-2H3
InChIKeyAUNSBIKVQSZJMC-UHFFFAOYSA-N
XLogP2.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine
CID 79521524
[3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine
CID 80706349
[2-(azepan-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 54918791
[1,5-dimethyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrrolidin-3-yl]methanamine
CID 81468198
[1-(4-cyclopropylpiperazin-1-yl)-3,3-dimethylcyclopentyl]methanamine
CID 80705604
1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-N,N-dimethylpiperidin-4-amine
CID 60797130
[3,3-dimethyl-1-(4-propylpiperidin-1-yl)cyclopentyl]methanamine
CID 80705055
[2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-dihydroinden-2-yl]methanamine
CID 63156873
[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylcycloheptyl]methanamine
CID 65087911
[3,3-dimethyl-1-(3-methylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 80705878
[2-methyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)oxolan-3-yl]methanamine
CID 82718467
[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5,5-dimethylthian-3-yl]methanamine
CID 79953997

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclopentyl]methanamine?
The IUPAC name of [3,3-dimethyl-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclopentyl]methanamine (CID 80705344) is [3,3-dimethyl-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclopentyl]methanamine.
What is the SMILES notation for [3,3-dimethyl-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclopentyl]methanamine?
The canonical SMILES for [3,3-dimethyl-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclopentyl]methanamine is CC1(C)CCC(CN)(N2CCc3ccccc3CC2)C1.
What is the InChIKey of [3,3-dimethyl-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclopentyl]methanamine?
The InChIKey is AUNSBIKVQSZJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-17(2)9-10-18(13-17,14-19)20-11-7-15-5-3-4-6-16(15)8-12-20/h3-6H,7-14,19H2,1-2H3.
What are the key properties of [3,3-dimethyl-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclopentyl]methanamine?
[3,3-dimethyl-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclopentyl]methanamine has a molecular weight of 272.44 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclopentyl]methanamine is sourced from PubChem (CID 80705344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).