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

C15H24N2 — CID 63155176

IUPACN-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine
SMILESCC(C)NCCN1CCCc2ccccc2C1
InChIInChI=1S/C15H24N2/c1-13(2)16-9-11-17-10-5-8-14-6-3-4-7-15(14)12-17/h3-4,6-7,13,16H,5,8-12H2,1-2H3
InChIKeySBMVLBSFQFNWKY-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.43
Rot. Bonds4

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

N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine (PubChem CID 63155176) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine
PubChem CID63155176
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine
SMILESCC(C)NCCN1CCCc2ccccc2C1
InChIInChI=1S/C15H24N2/c1-13(2)16-9-11-17-10-5-8-14-6-3-4-7-15(14)12-17/h3-4,6-7,13,16H,5,8-12H2,1-2H3
InChIKeySBMVLBSFQFNWKY-UHFFFAOYSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine
CID 63155130
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine
CID 63155260
N-ethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine
CID 63155129
N-propan-2-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)prop-2-en-1-amine
CID 103070503
3-propan-2-yloxy-N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine
CID 63153863
1-cyclopropyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ethanamine
CID 55085155
N-ethyl-4,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-3-amine
CID 63153082
4-(propan-2-ylamino)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-one
CID 63153399
2-(propan-2-ylamino)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide
CID 63152635
2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-ol
CID 115873061

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine (CID 63155176) is N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine is CC(C)NCCN1CCCc2ccccc2C1.
What is the InChIKey of N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine?
The InChIKey is SBMVLBSFQFNWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13(2)16-9-11-17-10-5-8-14-6-3-4-7-15(14)12-17/h3-4,6-7,13,16H,5,8-12H2,1-2H3.
What are the key properties of N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine?
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine has a molecular weight of 232.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 63155176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).