N-methyl-1-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexyl]methanamine

C19H30N2 — CID 63153211

IUPACN-methyl-1-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexyl]methanamine
SMILESCNCC1(CN2CCCc3ccccc3C2)CCCCC1
InChIInChI=1S/C19H30N2/c1-20-15-19(11-5-2-6-12-19)16-21-13-7-10-17-8-3-4-9-18(17)14-21/h3-4,8-9,20H,2,5-7,10-16H2,1H3
InChIKeyPZCAUVPSBCCFCN-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.60
Rot. Bonds4

About N-methyl-1-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexyl]methanamine

N-methyl-1-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexyl]methanamine (PubChem CID 63153211) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-methyl-1-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexyl]methanamine
PubChem CID63153211
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-methyl-1-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexyl]methanamine
SMILESCNCC1(CN2CCCc3ccccc3C2)CCCCC1
InChIInChI=1S/C19H30N2/c1-20-15-19(11-5-2-6-12-19)16-21-13-7-10-17-8-3-4-9-18(17)14-21/h3-4,8-9,20H,2,5-7,10-16H2,1H3
InChIKeyPZCAUVPSBCCFCN-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexyl]methanamine (CID 63153211) is N-methyl-1-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexyl]methanamine is CNCC1(CN2CCCc3ccccc3C2)CCCCC1.
What is the InChIKey of N-methyl-1-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexyl]methanamine?
The InChIKey is PZCAUVPSBCCFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-20-15-19(11-5-2-6-12-19)16-21-13-7-10-17-8-3-4-9-18(17)14-21/h3-4,8-9,20H,2,5-7,10-16H2,1H3.
What are the key properties of N-methyl-1-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexyl]methanamine?
N-methyl-1-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexyl]methanamine has a molecular weight of 286.46 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexyl]methanamine is sourced from PubChem (CID 63153211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).