N-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pentyl]cyclopropanamine

C18H28N2 — CID 83054427

IUPACN-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)N1CCc2ccccc2CC1
InChIInChI=1S/C18H28N2/c1-2-5-18(14-19-17-8-9-17)20-12-10-15-6-3-4-7-16(15)11-13-20/h3-4,6-7,17-19H,2,5,8-14H2,1H3
InChIKeyWYGKCLFNSIMFSJ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.01
Rot. Bonds6

About N-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pentyl]cyclopropanamine

N-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pentyl]cyclopropanamine (PubChem CID 83054427) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pentyl]cyclopropanamine
PubChem CID83054427
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)N1CCc2ccccc2CC1
InChIInChI=1S/C18H28N2/c1-2-5-18(14-19-17-8-9-17)20-12-10-15-6-3-4-7-16(15)11-13-20/h3-4,6-7,17-19H,2,5,8-14H2,1H3
InChIKeyWYGKCLFNSIMFSJ-UHFFFAOYSA-N
XLogP3.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpentan-1-amine
CID 83042404
N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]cyclopropanamine
CID 114460805
N-[2-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine
CID 83043627
N-[2-(3-methylpyrrolidin-1-yl)pentyl]cyclopropanamine
CID 83054279
N-[2-(4-ethyl-4-methylpiperidin-1-yl)pentyl]cyclopropanamine
CID 83054777
3-pentan-3-yl-1,2,4,5-tetrahydro-3-benzazepine
CID 86055539
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pentyl]cyclopropanamine
CID 83053975
2-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-amine
CID 16783013
N-propan-2-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
CID 83054132
N-tert-butyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
CID 83039576
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]butyl]cyclopropanamine
CID 62419457
1-(cyclopropylamino)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 43165764

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pentyl]cyclopropanamine?
The IUPAC name of N-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pentyl]cyclopropanamine (CID 83054427) is N-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pentyl]cyclopropanamine?
The canonical SMILES for N-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pentyl]cyclopropanamine is CCCC(CNC1CC1)N1CCc2ccccc2CC1.
What is the InChIKey of N-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pentyl]cyclopropanamine?
The InChIKey is WYGKCLFNSIMFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-5-18(14-19-17-8-9-17)20-12-10-15-6-3-4-7-16(15)11-13-20/h3-4,6-7,17-19H,2,5,8-14H2,1H3.
What are the key properties of N-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pentyl]cyclopropanamine?
N-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pentyl]cyclopropanamine has a molecular weight of 272.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pentyl]cyclopropanamine is sourced from PubChem (CID 83054427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).