N-methyl-1-(oxan-4-yl)-1-(1-phenylcyclohexyl)methanamine

C19H29NO — CID 63935895

IUPACN-methyl-1-(oxan-4-yl)-1-(1-phenylcyclohexyl)methanamine
SMILESCNC(C1CCOCC1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C19H29NO/c1-20-18(16-10-14-21-15-11-16)19(12-6-3-7-13-19)17-8-4-2-5-9-17/h2,4-5,8-9,16,18,20H,3,6-7,10-15H2,1H3
InChIKeyNOWVEIQOFPUVRV-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.90
Rot. Bonds4

About N-methyl-1-(oxan-4-yl)-1-(1-phenylcyclohexyl)methanamine

N-methyl-1-(oxan-4-yl)-1-(1-phenylcyclohexyl)methanamine (PubChem CID 63935895) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-methyl-1-(oxan-4-yl)-1-(1-phenylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxan-4-yl)-1-(1-phenylcyclohexyl)methanamine
PubChem CID63935895
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-methyl-1-(oxan-4-yl)-1-(1-phenylcyclohexyl)methanamine
SMILESCNC(C1CCOCC1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C19H29NO/c1-20-18(16-10-14-21-15-11-16)19(12-6-3-7-13-19)17-8-4-2-5-9-17/h2,4-5,8-9,16,18,20H,3,6-7,10-15H2,1H3
InChIKeyNOWVEIQOFPUVRV-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-4-yl)-1-(1-phenylcyclohexyl)methanamine?
The IUPAC name of N-methyl-1-(oxan-4-yl)-1-(1-phenylcyclohexyl)methanamine (CID 63935895) is N-methyl-1-(oxan-4-yl)-1-(1-phenylcyclohexyl)methanamine.
What is the SMILES notation for N-methyl-1-(oxan-4-yl)-1-(1-phenylcyclohexyl)methanamine?
The canonical SMILES for N-methyl-1-(oxan-4-yl)-1-(1-phenylcyclohexyl)methanamine is CNC(C1CCOCC1)C1(c2ccccc2)CCCCC1.
What is the InChIKey of N-methyl-1-(oxan-4-yl)-1-(1-phenylcyclohexyl)methanamine?
The InChIKey is NOWVEIQOFPUVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-20-18(16-10-14-21-15-11-16)19(12-6-3-7-13-19)17-8-4-2-5-9-17/h2,4-5,8-9,16,18,20H,3,6-7,10-15H2,1H3.
What are the key properties of N-methyl-1-(oxan-4-yl)-1-(1-phenylcyclohexyl)methanamine?
N-methyl-1-(oxan-4-yl)-1-(1-phenylcyclohexyl)methanamine has a molecular weight of 287.45 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-4-yl)-1-(1-phenylcyclohexyl)methanamine is sourced from PubChem (CID 63935895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).