N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine

C18H30N2 — CID 63155130

IUPACN-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine
SMILESCCCNC(C)CCCN1CCCc2ccccc2C1
InChIInChI=1S/C18H30N2/c1-3-12-19-16(2)8-6-13-20-14-7-11-17-9-4-5-10-18(17)15-20/h4-5,9-10,16,19H,3,6-8,11-15H2,1-2H3
InChIKeyJCKYKSHYUJLBJA-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.60
Rot. Bonds7

About N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine

N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine (PubChem CID 63155130) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine
PubChem CID63155130
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine
SMILESCCCNC(C)CCCN1CCCc2ccccc2C1
InChIInChI=1S/C18H30N2/c1-3-12-19-16(2)8-6-13-20-14-7-11-17-9-4-5-10-18(17)15-20/h4-5,9-10,16,19H,3,6-8,11-15H2,1-2H3
InChIKeyJCKYKSHYUJLBJA-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine
CID 63155129
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine
CID 63153432
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine
CID 63155176
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine
CID 63155260
3-methyl-N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]butan-2-amine
CID 63153733
N-ethyl-4,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-3-amine
CID 63153082
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pentan-2-amine
CID 55085658
3-propan-2-yloxy-N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine
CID 63153863
5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-ethylpentan-2-amine
CID 63189420
6-(3-phenylpyrrolidin-1-yl)-N-propylhexan-2-amine
CID 62131389
2-pentyl-3,4-dihydro-1H-isoquinoline
CID 24138
N-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine
CID 63153176

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine?
The IUPAC name of N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine (CID 63155130) is N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine.
What is the SMILES notation for N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine?
The canonical SMILES for N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine is CCCNC(C)CCCN1CCCc2ccccc2C1.
What is the InChIKey of N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine?
The InChIKey is JCKYKSHYUJLBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-12-19-16(2)8-6-13-20-14-7-11-17-9-4-5-10-18(17)15-20/h4-5,9-10,16,19H,3,6-8,11-15H2,1-2H3.
What are the key properties of N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine?
N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-amine is sourced from PubChem (CID 63155130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).