3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)cyclohexan-1-amine

C17H34N2O — CID 43100406

IUPAC3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)cyclohexan-1-amine
SMILESCC(C)CC(CNC1CCCC(C)C1)N1CCOCC1
InChIInChI=1S/C17H34N2O/c1-14(2)11-17(19-7-9-20-10-8-19)13-18-16-6-4-5-15(3)12-16/h14-18H,4-13H2,1-3H3
InChIKeyHLPAUSRPVVPWKS-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds6

About 3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)cyclohexan-1-amine

3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)cyclohexan-1-amine (PubChem CID 43100406) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)cyclohexan-1-amine
PubChem CID43100406
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)cyclohexan-1-amine
SMILESCC(C)CC(CNC1CCCC(C)C1)N1CCOCC1
InChIInChI=1S/C17H34N2O/c1-14(2)11-17(19-7-9-20-10-8-19)13-18-16-6-4-5-15(3)12-16/h14-18H,4-13H2,1-3H3
InChIKeyHLPAUSRPVVPWKS-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)cyclohexan-1-amine (CID 43100406) is 3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)cyclohexan-1-amine is CC(C)CC(CNC1CCCC(C)C1)N1CCOCC1.
What is the InChIKey of 3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)cyclohexan-1-amine?
The InChIKey is HLPAUSRPVVPWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-14(2)11-17(19-7-9-20-10-8-19)13-18-16-6-4-5-15(3)12-16/h14-18H,4-13H2,1-3H3.
What are the key properties of 3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)cyclohexan-1-amine?
3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)cyclohexan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)cyclohexan-1-amine is sourced from PubChem (CID 43100406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).