4-amino-N-butan-2-yl-N-butyl-3-methylcyclohexane-1-carboxamide

C16H32N2O — CID 62781228

IUPAC4-amino-N-butan-2-yl-N-butyl-3-methylcyclohexane-1-carboxamide
SMILESCCCCN(C(=O)C1CCC(N)C(C)C1)C(C)CC
InChIInChI=1S/C16H32N2O/c1-5-7-10-18(13(4)6-2)16(19)14-8-9-15(17)12(3)11-14/h12-15H,5-11,17H2,1-4H3
InChIKeyAPSSLXPHHYJBBW-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.18
Rot. Bonds6

About 4-amino-N-butan-2-yl-N-butyl-3-methylcyclohexane-1-carboxamide

4-amino-N-butan-2-yl-N-butyl-3-methylcyclohexane-1-carboxamide (PubChem CID 62781228) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-amino-N-butan-2-yl-N-butyl-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-butan-2-yl-N-butyl-3-methylcyclohexane-1-carboxamide
PubChem CID62781228
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name4-amino-N-butan-2-yl-N-butyl-3-methylcyclohexane-1-carboxamide
SMILESCCCCN(C(=O)C1CCC(N)C(C)C1)C(C)CC
InChIInChI=1S/C16H32N2O/c1-5-7-10-18(13(4)6-2)16(19)14-8-9-15(17)12(3)11-14/h12-15H,5-11,17H2,1-4H3
InChIKeyAPSSLXPHHYJBBW-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butan-2-yl-N-butyl-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-butan-2-yl-N-butyl-3-methylcyclohexane-1-carboxamide (CID 62781228) is 4-amino-N-butan-2-yl-N-butyl-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-butan-2-yl-N-butyl-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-butan-2-yl-N-butyl-3-methylcyclohexane-1-carboxamide is CCCCN(C(=O)C1CCC(N)C(C)C1)C(C)CC.
What is the InChIKey of 4-amino-N-butan-2-yl-N-butyl-3-methylcyclohexane-1-carboxamide?
The InChIKey is APSSLXPHHYJBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-7-10-18(13(4)6-2)16(19)14-8-9-15(17)12(3)11-14/h12-15H,5-11,17H2,1-4H3.
What are the key properties of 4-amino-N-butan-2-yl-N-butyl-3-methylcyclohexane-1-carboxamide?
4-amino-N-butan-2-yl-N-butyl-3-methylcyclohexane-1-carboxamide has a molecular weight of 268.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butan-2-yl-N-butyl-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 62781228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).