N-[[1-(dimethylamino)cyclobutyl]methyl]-4-phenylcyclohexan-1-amine

C19H30N2 — CID 105414735

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-4-phenylcyclohexan-1-amine
SMILESCN(C)C1(CNC2CCC(c3ccccc3)CC2)CCC1
InChIInChI=1S/C19H30N2/c1-21(2)19(13-6-14-19)15-20-18-11-9-17(10-12-18)16-7-4-3-5-8-16/h3-5,7-8,17-18,20H,6,9-15H2,1-2H3
InChIKeyKDMFSJHYWAKKKB-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.79
Rot. Bonds5

About N-[[1-(dimethylamino)cyclobutyl]methyl]-4-phenylcyclohexan-1-amine

N-[[1-(dimethylamino)cyclobutyl]methyl]-4-phenylcyclohexan-1-amine (PubChem CID 105414735) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-4-phenylcyclohexan-1-amine
PubChem CID105414735
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-4-phenylcyclohexan-1-amine
SMILESCN(C)C1(CNC2CCC(c3ccccc3)CC2)CCC1
InChIInChI=1S/C19H30N2/c1-21(2)19(13-6-14-19)15-20-18-11-9-17(10-12-18)16-7-4-3-5-8-16/h3-5,7-8,17-18,20H,6,9-15H2,1-2H3
InChIKeyKDMFSJHYWAKKKB-UHFFFAOYSA-N
XLogP3.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-4-phenylcyclohexan-1-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-4-phenylcyclohexan-1-amine (CID 105414735) is N-[[1-(dimethylamino)cyclobutyl]methyl]-4-phenylcyclohexan-1-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-4-phenylcyclohexan-1-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-4-phenylcyclohexan-1-amine is CN(C)C1(CNC2CCC(c3ccccc3)CC2)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-4-phenylcyclohexan-1-amine?
The InChIKey is KDMFSJHYWAKKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-21(2)19(13-6-14-19)15-20-18-11-9-17(10-12-18)16-7-4-3-5-8-16/h3-5,7-8,17-18,20H,6,9-15H2,1-2H3.
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-4-phenylcyclohexan-1-amine?
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-phenylcyclohexan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 105414735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).