3,4-dimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclohexan-1-amine

C16H32N2O — CID 64742481

IUPAC3,4-dimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclohexan-1-amine
SMILESCC1CCC(NCC2CN(C(C)C)CCO2)CC1C
InChIInChI=1S/C16H32N2O/c1-12(2)18-7-8-19-16(11-18)10-17-15-6-5-13(3)14(4)9-15/h12-17H,5-11H2,1-4H3
InChIKeyPFJQGTMGPVCRDV-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds4

About 3,4-dimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclohexan-1-amine

3,4-dimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclohexan-1-amine (PubChem CID 64742481) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclohexan-1-amine
PubChem CID64742481
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3,4-dimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclohexan-1-amine
SMILESCC1CCC(NCC2CN(C(C)C)CCO2)CC1C
InChIInChI=1S/C16H32N2O/c1-12(2)18-7-8-19-16(11-18)10-17-15-6-5-13(3)14(4)9-15/h12-17H,5-11H2,1-4H3
InChIKeyPFJQGTMGPVCRDV-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclohexan-1-amine (CID 64742481) is 3,4-dimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclohexan-1-amine is CC1CCC(NCC2CN(C(C)C)CCO2)CC1C.
What is the InChIKey of 3,4-dimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is PFJQGTMGPVCRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-12(2)18-7-8-19-16(11-18)10-17-15-6-5-13(3)14(4)9-15/h12-17H,5-11H2,1-4H3.
What are the key properties of 3,4-dimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclohexan-1-amine?
3,4-dimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64742481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).