N-methyl-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclopentan-1-amine

C18H28N2 — CID 79564931

IUPACN-methyl-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclopentan-1-amine
SMILESCNC1CCCC1CCN1CCCc2ccccc2C1
InChIInChI=1S/C18H28N2/c1-19-18-10-4-8-16(18)11-13-20-12-5-9-15-6-2-3-7-17(15)14-20/h2-3,6-7,16,18-19H,4-5,8-14H2,1H3
InChIKeyDGTJEFLSLPDOSI-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.21
Rot. Bonds4

About N-methyl-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclopentan-1-amine

N-methyl-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclopentan-1-amine (PubChem CID 79564931) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-methyl-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclopentan-1-amine
PubChem CID79564931
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-methyl-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclopentan-1-amine
SMILESCNC1CCCC1CCN1CCCc2ccccc2C1
InChIInChI=1S/C18H28N2/c1-19-18-10-4-8-16(18)11-13-20-12-5-9-15-6-2-3-7-17(15)14-20/h2-3,6-7,16,18-19H,4-5,8-14H2,1H3
InChIKeyDGTJEFLSLPDOSI-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentan-1-amine
CID 63153039
2-(1,3-dihydroisoindol-2-ylmethyl)-N-methylcyclohexan-1-amine
CID 62616887
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine
CID 63155176
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine
CID 63155260
2-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclopentan-1-amine
CID 79565281
N-methyl-2-[2-(4-propan-2-ylazepan-1-yl)ethyl]cyclopentan-1-amine
CID 79566044
N-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine
CID 63153176
2-[2-(3-methoxypiperidin-1-yl)ethyl]-N-methylcyclopentan-1-amine
CID 102965677
1-methyl-3-[2-[2-(methylamino)cyclopentyl]ethyl]imidazolidine-2,4-dione
CID 79572752
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine
CID 63153432
3-methyl-N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine
CID 63153733
3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanethioamide
CID 63152920

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of N-methyl-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclopentan-1-amine (CID 79564931) is N-methyl-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for N-methyl-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for N-methyl-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclopentan-1-amine is CNC1CCCC1CCN1CCCc2ccccc2C1.
What is the InChIKey of N-methyl-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclopentan-1-amine?
The InChIKey is DGTJEFLSLPDOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-19-18-10-4-8-16(18)11-13-20-12-5-9-15-6-2-3-7-17(15)14-20/h2-3,6-7,16,18-19H,4-5,8-14H2,1H3.
What are the key properties of N-methyl-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclopentan-1-amine?
N-methyl-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclopentan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79564931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).