1-[3-(dimethylamino)propyl]-N-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine

C18H31N3 — CID 114524582

IUPAC1-[3-(dimethylamino)propyl]-N-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCCCNC1CCCN(CCCN(C)C)c2ccccc21
InChIInChI=1S/C18H31N3/c1-4-12-19-17-10-7-14-21(15-8-13-20(2)3)18-11-6-5-9-16(17)18/h5-6,9,11,17,19H,4,7-8,10,12-15H2,1-3H3
InChIKeyUGVRCNFIDVFPBI-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.28
Rot. Bonds7

About 1-[3-(dimethylamino)propyl]-N-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine

1-[3-(dimethylamino)propyl]-N-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine (PubChem CID 114524582) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-N-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-N-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
PubChem CID114524582
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-[3-(dimethylamino)propyl]-N-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCCCNC1CCCN(CCCN(C)C)c2ccccc21
InChIInChI=1S/C18H31N3/c1-4-12-19-17-10-7-14-21(15-8-13-20(2)3)18-11-6-5-9-16(17)18/h5-6,9,11,17,19H,4,7-8,10,12-15H2,1-3H3
InChIKeyUGVRCNFIDVFPBI-UHFFFAOYSA-N
XLogP3.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-N-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The IUPAC name of 1-[3-(dimethylamino)propyl]-N-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine (CID 114524582) is 1-[3-(dimethylamino)propyl]-N-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-N-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-N-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine is CCCNC1CCCN(CCCN(C)C)c2ccccc21.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-N-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The InChIKey is UGVRCNFIDVFPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-12-19-17-10-7-14-21(15-8-13-20(2)3)18-11-6-5-9-16(17)18/h5-6,9,11,17,19H,4,7-8,10,12-15H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-N-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
1-[3-(dimethylamino)propyl]-N-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine has a molecular weight of 289.47 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-N-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine is sourced from PubChem (CID 114524582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).