3-amino-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexane-1-carboxamide

C16H32N2O — CID 102915394

IUPAC3-amino-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexane-1-carboxamide
SMILESCC(C)C(CNC(=O)C1CCC(C)C(N)C1)C(C)C
InChIInChI=1S/C16H32N2O/c1-10(2)14(11(3)4)9-18-16(19)13-7-6-12(5)15(17)8-13/h10-15H,6-9,17H2,1-5H3,(H,18,19)
InChIKeyXVZWYMXKDRYOQU-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.79
Rot. Bonds5

About 3-amino-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexane-1-carboxamide

3-amino-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexane-1-carboxamide (PubChem CID 102915394) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexane-1-carboxamide
PubChem CID102915394
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-amino-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexane-1-carboxamide
SMILESCC(C)C(CNC(=O)C1CCC(C)C(N)C1)C(C)C
InChIInChI=1S/C16H32N2O/c1-10(2)14(11(3)4)9-18-16(19)13-7-6-12(5)15(17)8-13/h10-15H,6-9,17H2,1-5H3,(H,18,19)
InChIKeyXVZWYMXKDRYOQU-UHFFFAOYSA-N
XLogP2.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551301
3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 62781322
3-amino-4-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 107818268
4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide
CID 62782736
(4R)-3-amino-N'-iodo-4-methylcyclohexane-1-carbohydrazide
CID 134513239
3-amino-4-methyl-N-(5,5,5-trifluoropentyl)cyclohexane-1-carboxamide
CID 115522320
3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62993831
3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 62781601
3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102907107
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methylcyclohexane-1-carboxamide
CID 105420547
3-amino-N-(2-cyclohexyloxyethyl)-4-methylcyclohexane-1-carboxamide
CID 63833458
4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 104766026

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexane-1-carboxamide (CID 102915394) is 3-amino-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexane-1-carboxamide is CC(C)C(CNC(=O)C1CCC(C)C(N)C1)C(C)C.
What is the InChIKey of 3-amino-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexane-1-carboxamide?
The InChIKey is XVZWYMXKDRYOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-10(2)14(11(3)4)9-18-16(19)13-7-6-12(5)15(17)8-13/h10-15H,6-9,17H2,1-5H3,(H,18,19).
What are the key properties of 3-amino-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexane-1-carboxamide?
3-amino-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexane-1-carboxamide has a molecular weight of 268.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 102915394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).