N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentan-1-amine

C17H26N2 — CID 63153039

IUPACN-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentan-1-amine
SMILESCNC1CCCC1CN1CCCc2ccccc2C1
InChIInChI=1S/C17H26N2/c1-18-17-10-4-8-16(17)13-19-11-5-9-14-6-2-3-7-15(14)12-19/h2-3,6-7,16-18H,4-5,8-13H2,1H3
InChIKeyDSYZRCRHVYEKFR-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.82
Rot. Bonds3

About N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentan-1-amine

N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentan-1-amine (PubChem CID 63153039) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentan-1-amine
PubChem CID63153039
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentan-1-amine
SMILESCNC1CCCC1CN1CCCc2ccccc2C1
InChIInChI=1S/C17H26N2/c1-18-17-10-4-8-16(17)13-19-11-5-9-14-6-2-3-7-15(14)12-19/h2-3,6-7,16-18H,4-5,8-13H2,1H3
InChIKeyDSYZRCRHVYEKFR-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclopentan-1-amine
CID 79564931
2-(1,3-dihydroisoindol-2-ylmethyl)-N-methylcyclohexan-1-amine
CID 62616887
2,2-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexan-1-amine
CID 79843277
3-(1,3-dihydroisoindol-2-ylmethyl)-N-methyloxan-4-amine
CID 103059029
N-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 62609782
N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclopentan-1-amine
CID 63623587
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-ethylcyclopentan-1-amine
CID 63193082
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-propylcyclopentan-1-amine
CID 63193083
N-methyl-2-[(4-propylpiperazin-1-yl)methyl]cyclopentan-1-amine
CID 55094031
6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79853349
2,2-dimethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentan-1-one
CID 79866689
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine
CID 63155176

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentan-1-amine?
The IUPAC name of N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentan-1-amine (CID 63153039) is N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentan-1-amine is CNC1CCCC1CN1CCCc2ccccc2C1.
What is the InChIKey of N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentan-1-amine?
The InChIKey is DSYZRCRHVYEKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-18-17-10-4-8-16(17)13-19-11-5-9-14-6-2-3-7-15(14)12-19/h2-3,6-7,16-18H,4-5,8-13H2,1H3.
What are the key properties of N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentan-1-amine?
N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 63153039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).