4-amino-2-methyl-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide

C16H32N2O — CID 62782228

IUPAC4-amino-2-methyl-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCCCCCN(C(=O)C1CCC(N)CC1C)C(C)C
InChIInChI=1S/C16H32N2O/c1-5-6-7-10-18(12(2)3)16(19)15-9-8-14(17)11-13(15)4/h12-15H,5-11,17H2,1-4H3
InChIKeyRNCAHJOQDJKHLS-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.18
Rot. Bonds6

About 4-amino-2-methyl-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide

4-amino-2-methyl-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 62782228) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-amino-2-methyl-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID62782228
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name4-amino-2-methyl-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCCCCCN(C(=O)C1CCC(N)CC1C)C(C)C
InChIInChI=1S/C16H32N2O/c1-5-6-7-10-18(12(2)3)16(19)15-9-8-14(17)11-13(15)4/h12-15H,5-11,17H2,1-4H3
InChIKeyRNCAHJOQDJKHLS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 62776661
4-amino-N-butyl-N,2-dimethylcyclohexane-1-carboxamide
CID 62781325
4-amino-N-pentyl-N-propan-2-yloxolane-3-carboxamide
CID 66238860
4-amino-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylcyclohexane-1-carboxamide
CID 62781952
5-amino-2,4-dimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide
CID 102706516
N-(3-aminopropyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 43136679
2-[pentan-2-yl(pentyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975571
4-amino-N,2-dimethyl-N-pentan-3-ylcyclohexane-1-carboxamide
CID 62783517
N-butan-2-yl-N-butyl-2-methylcyclopropane-1-carboxamide
CID 78858376
N-(3-chloropropyl)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 107183830
4-amino-N-[2-(dimethylamino)ethyl]-N,2-dimethylcyclohexane-1-carboxamide
CID 63727080
6-methyl-N-pentyl-N-propan-2-ylpiperidine-3-carboxamide
CID 55001842

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-2-methyl-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide (CID 62782228) is 4-amino-2-methyl-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-2-methyl-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-2-methyl-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide is CCCCCN(C(=O)C1CCC(N)CC1C)C(C)C.
What is the InChIKey of 4-amino-2-methyl-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is RNCAHJOQDJKHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-6-7-10-18(12(2)3)16(19)15-9-8-14(17)11-13(15)4/h12-15H,5-11,17H2,1-4H3.
What are the key properties of 4-amino-2-methyl-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide?
4-amino-2-methyl-N-pentyl-N-propan-2-ylcyclohexane-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-2-methyl-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 62782228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).