4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methylcyclohexane-1-carboxamide

C16H33N3O — CID 62782597

IUPAC4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methylcyclohexane-1-carboxamide
SMILESCC(C)CC(CN(C)C)NC(=O)C1CCC(N)C(C)C1
InChIInChI=1S/C16H33N3O/c1-11(2)8-14(10-19(4)5)18-16(20)13-6-7-15(17)12(3)9-13/h11-15H,6-10,17H2,1-5H3,(H,18,20)
InChIKeyASHUSWYTJJPSAC-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.84
Rot. Bonds6

About 4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methylcyclohexane-1-carboxamide

4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methylcyclohexane-1-carboxamide (PubChem CID 62782597) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methylcyclohexane-1-carboxamide
PubChem CID62782597
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methylcyclohexane-1-carboxamide
SMILESCC(C)CC(CN(C)C)NC(=O)C1CCC(N)C(C)C1
InChIInChI=1S/C16H33N3O/c1-11(2)8-14(10-19(4)5)18-16(20)13-6-7-15(17)12(3)9-13/h11-15H,6-10,17H2,1-5H3,(H,18,20)
InChIKeyASHUSWYTJJPSAC-UHFFFAOYSA-N
XLogP1.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[4-(dimethylamino)butan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 55115402
N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159057
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159056
4-amino-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 62777735
4-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 103113502
4-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide
CID 63840862
4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide
CID 62782736
4-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide
CID 62783259
(3S,4S)-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 114084712
4-amino-N-(1-cyclohexylethyl)-3-methylcyclohexane-1-carboxamide
CID 55116861
(2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102944797
4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 104766026

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methylcyclohexane-1-carboxamide (CID 62782597) is 4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methylcyclohexane-1-carboxamide is CC(C)CC(CN(C)C)NC(=O)C1CCC(N)C(C)C1.
What is the InChIKey of 4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methylcyclohexane-1-carboxamide?
The InChIKey is ASHUSWYTJJPSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-11(2)8-14(10-19(4)5)18-16(20)13-6-7-15(17)12(3)9-13/h11-15H,6-10,17H2,1-5H3,(H,18,20).
What are the key properties of 4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methylcyclohexane-1-carboxamide?
4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methylcyclohexane-1-carboxamide has a molecular weight of 283.46 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 62782597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).