N-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine

C17H27N3 — CID 103314140

IUPACN-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
SMILESCN(CCN1CCCC1)C1CCc2ccccc2NC1
InChIInChI=1S/C17H27N3/c1-19(12-13-20-10-4-5-11-20)16-9-8-15-6-2-3-7-17(15)18-14-16/h2-3,6-7,16,18H,4-5,8-14H2,1H3
InChIKeyBNLBSDQFBLWRNS-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.44
Rot. Bonds4

About N-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine

N-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine (PubChem CID 103314140) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
PubChem CID103314140
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
SMILESCN(CCN1CCCC1)C1CCc2ccccc2NC1
InChIInChI=1S/C17H27N3/c1-19(12-13-20-10-4-5-11-20)16-9-8-15-6-2-3-7-17(15)18-14-16/h2-3,6-7,16,18H,4-5,8-14H2,1H3
InChIKeyBNLBSDQFBLWRNS-UHFFFAOYSA-N
XLogP2.44
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine with MolForge

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Related Compounds

(3S)-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 124681115
N-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine
CID 106902191
N-[(4-fluorophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314121
N-[(2-bromophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314084
2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 80577284
N,N-dimethyl-N'-(2-methylpropyl)-N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)ethane-1,2-diamine
CID 103314051
N-(cyclopropylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314157
N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-3-yl)ethane-1,2-diamine
CID 63694889
(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 70239123
N-cycloheptyl-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 54861284
N-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314167
N,N-dimethyl-1-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)piperidin-4-amine
CID 106901995

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine?
The IUPAC name of N-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine (CID 103314140) is N-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine.
What is the SMILES notation for N-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine?
The canonical SMILES for N-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine is CN(CCN1CCCC1)C1CCc2ccccc2NC1.
What is the InChIKey of N-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine?
The InChIKey is BNLBSDQFBLWRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-19(12-13-20-10-4-5-11-20)16-9-8-15-6-2-3-7-17(15)18-14-16/h2-3,6-7,16,18H,4-5,8-14H2,1H3.
What are the key properties of N-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine?
N-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine has a molecular weight of 273.42 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine is sourced from PubChem (CID 103314140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).