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

C17H26N2 — CID 63153176

IUPACN-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine
SMILESc1ccc2c(c1)CCCN(CCCCNC1CC1)C2
InChIInChI=1S/C17H26N2/c1-2-7-16-14-19(13-5-8-15(16)6-1)12-4-3-11-18-17-9-10-17/h1-2,6-7,17-18H,3-5,8-14H2
InChIKeyQMXBHIRYODVKDD-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.97
Rot. Bonds6

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

N-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine (PubChem CID 63153176) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine
PubChem CID63153176
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine
SMILESc1ccc2c(c1)CCCN(CCCCNC1CC1)C2
InChIInChI=1S/C17H26N2/c1-2-7-16-14-19(13-5-8-15(16)6-1)12-4-3-11-18-17-9-10-17/h1-2,6-7,17-18H,3-5,8-14H2
InChIKeyQMXBHIRYODVKDD-UHFFFAOYSA-N
XLogP2.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(3,4-dihydro-2H-quinolin-1-yl)pentyl]cyclopropanamine
CID 55069946
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexanamine
CID 60743974
N-(2-methoxyethyl)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine
CID 63153557
N-[5-(azocan-1-yl)pentyl]cyclopropanamine
CID 55070436
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine
CID 63155176
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanehydrazide
CID 55213456
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine
CID 63155260
2-amino-2-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexanamide
CID 63152637
N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine
CID 60867490
3-methyl-N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine
CID 63153733
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine
CID 63153432

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine?
The IUPAC name of N-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine (CID 63153176) is N-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine is c1ccc2c(c1)CCCN(CCCCNC1CC1)C2.
What is the InChIKey of N-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine?
The InChIKey is QMXBHIRYODVKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-7-16-14-19(13-5-8-15(16)6-1)12-4-3-11-18-17-9-10-17/h1-2,6-7,17-18H,3-5,8-14H2.
What are the key properties of N-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine?
N-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine has a molecular weight of 258.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine is sourced from PubChem (CID 63153176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).