(1-amino-3-methylcyclohexyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone

C18H26N2O — CID 64552137

IUPAC(1-amino-3-methylcyclohexyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
SMILESCC1CCCC(N)(C(=O)N2CCCc3ccccc3C2)C1
InChIInChI=1S/C18H26N2O/c1-14-6-4-10-18(19,12-14)17(21)20-11-5-9-15-7-2-3-8-16(15)13-20/h2-3,7-8,14H,4-6,9-13,19H2,1H3
InChIKeyZHAXDOGPVCPEMZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.87
Rot. Bonds1

About (1-amino-3-methylcyclohexyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone

(1-amino-3-methylcyclohexyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (PubChem CID 64552137) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (1-amino-3-methylcyclohexyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone.

Molecular Properties

Compound Name(1-amino-3-methylcyclohexyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
PubChem CID64552137
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(1-amino-3-methylcyclohexyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
SMILESCC1CCCC(N)(C(=O)N2CCCc3ccccc3C2)C1
InChIInChI=1S/C18H26N2O/c1-14-6-4-10-18(19,12-14)17(21)20-11-5-9-15-7-2-3-8-16(15)13-20/h2-3,7-8,14H,4-6,9-13,19H2,1H3
InChIKeyZHAXDOGPVCPEMZ-UHFFFAOYSA-N
XLogP2.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methylcyclohexyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
The IUPAC name of (1-amino-3-methylcyclohexyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (CID 64552137) is (1-amino-3-methylcyclohexyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone.
What is the SMILES notation for (1-amino-3-methylcyclohexyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
The canonical SMILES for (1-amino-3-methylcyclohexyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone is CC1CCCC(N)(C(=O)N2CCCc3ccccc3C2)C1.
What is the InChIKey of (1-amino-3-methylcyclohexyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
The InChIKey is ZHAXDOGPVCPEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-6-4-10-18(19,12-14)17(21)20-11-5-9-15-7-2-3-8-16(15)13-20/h2-3,7-8,14H,4-6,9-13,19H2,1H3.
What are the key properties of (1-amino-3-methylcyclohexyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
(1-amino-3-methylcyclohexyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methylcyclohexyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone is sourced from PubChem (CID 64552137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).