3-(2-methyl-3-propyl-4,5-dihydro-1-benzazepin-1-yl)cyclohexan-1-amine

C20H30N2 — CID 137467583

IUPAC3-(2-methyl-3-propyl-4,5-dihydro-1-benzazepin-1-yl)cyclohexan-1-amine
SMILESCCCC1=C(C)N(C2CCCC(N)C2)c2ccccc2CC1
InChIInChI=1S/C20H30N2/c1-3-7-16-12-13-17-8-4-5-11-20(17)22(15(16)2)19-10-6-9-18(21)14-19/h4-5,8,11,18-19H,3,6-7,9-10,12-14,21H2,1-2H3
InChIKeyWOSNLDVYCFYSAP-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.78
Rot. Bonds3

About 3-(2-methyl-3-propyl-4,5-dihydro-1-benzazepin-1-yl)cyclohexan-1-amine

3-(2-methyl-3-propyl-4,5-dihydro-1-benzazepin-1-yl)cyclohexan-1-amine (PubChem CID 137467583) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 3-(2-methyl-3-propyl-4,5-dihydro-1-benzazepin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(2-methyl-3-propyl-4,5-dihydro-1-benzazepin-1-yl)cyclohexan-1-amine
PubChem CID137467583
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name3-(2-methyl-3-propyl-4,5-dihydro-1-benzazepin-1-yl)cyclohexan-1-amine
SMILESCCCC1=C(C)N(C2CCCC(N)C2)c2ccccc2CC1
InChIInChI=1S/C20H30N2/c1-3-7-16-12-13-17-8-4-5-11-20(17)22(15(16)2)19-10-6-9-18(21)14-19/h4-5,8,11,18-19H,3,6-7,9-10,12-14,21H2,1-2H3
InChIKeyWOSNLDVYCFYSAP-UHFFFAOYSA-N
XLogP4.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3-propyl-4,5-dihydro-1-benzazepin-1-yl)cyclohexan-1-amine?
The IUPAC name of 3-(2-methyl-3-propyl-4,5-dihydro-1-benzazepin-1-yl)cyclohexan-1-amine (CID 137467583) is 3-(2-methyl-3-propyl-4,5-dihydro-1-benzazepin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-(2-methyl-3-propyl-4,5-dihydro-1-benzazepin-1-yl)cyclohexan-1-amine?
The canonical SMILES for 3-(2-methyl-3-propyl-4,5-dihydro-1-benzazepin-1-yl)cyclohexan-1-amine is CCCC1=C(C)N(C2CCCC(N)C2)c2ccccc2CC1.
What is the InChIKey of 3-(2-methyl-3-propyl-4,5-dihydro-1-benzazepin-1-yl)cyclohexan-1-amine?
The InChIKey is WOSNLDVYCFYSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-3-7-16-12-13-17-8-4-5-11-20(17)22(15(16)2)19-10-6-9-18(21)14-19/h4-5,8,11,18-19H,3,6-7,9-10,12-14,21H2,1-2H3.
What are the key properties of 3-(2-methyl-3-propyl-4,5-dihydro-1-benzazepin-1-yl)cyclohexan-1-amine?
3-(2-methyl-3-propyl-4,5-dihydro-1-benzazepin-1-yl)cyclohexan-1-amine has a molecular weight of 298.47 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3-propyl-4,5-dihydro-1-benzazepin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 137467583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).