3-amino-N-(4-cyclohexylcyclohexyl)-N-methylpropanamide

C16H30N2O — CID 21479311

IUPAC3-amino-N-(4-cyclohexylcyclohexyl)-N-methylpropanamide
SMILESCN(C(=O)CCN)C1CCC(C2CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-18(16(19)11-12-17)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h13-15H,2-12,17H2,1H3
InChIKeyGBJCNLODNPMZDE-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.93
Rot. Bonds4

About 3-amino-N-(4-cyclohexylcyclohexyl)-N-methylpropanamide

3-amino-N-(4-cyclohexylcyclohexyl)-N-methylpropanamide (PubChem CID 21479311) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-amino-N-(4-cyclohexylcyclohexyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(4-cyclohexylcyclohexyl)-N-methylpropanamide
PubChem CID21479311
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-amino-N-(4-cyclohexylcyclohexyl)-N-methylpropanamide
SMILESCN(C(=O)CCN)C1CCC(C2CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-18(16(19)11-12-17)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h13-15H,2-12,17H2,1H3
InChIKeyGBJCNLODNPMZDE-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-cyclohexylcyclohexyl)-N-methylpropanamide?
The IUPAC name of 3-amino-N-(4-cyclohexylcyclohexyl)-N-methylpropanamide (CID 21479311) is 3-amino-N-(4-cyclohexylcyclohexyl)-N-methylpropanamide.
What is the SMILES notation for 3-amino-N-(4-cyclohexylcyclohexyl)-N-methylpropanamide?
The canonical SMILES for 3-amino-N-(4-cyclohexylcyclohexyl)-N-methylpropanamide is CN(C(=O)CCN)C1CCC(C2CCCCC2)CC1.
What is the InChIKey of 3-amino-N-(4-cyclohexylcyclohexyl)-N-methylpropanamide?
The InChIKey is GBJCNLODNPMZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-18(16(19)11-12-17)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h13-15H,2-12,17H2,1H3.
What are the key properties of 3-amino-N-(4-cyclohexylcyclohexyl)-N-methylpropanamide?
3-amino-N-(4-cyclohexylcyclohexyl)-N-methylpropanamide has a molecular weight of 266.43 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-cyclohexylcyclohexyl)-N-methylpropanamide is sourced from PubChem (CID 21479311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).