2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]acetamide

C16H33N3O — CID 62782922

IUPAC2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]acetamide
SMILESCC(C)CC(CN(C)C)NC(=O)CC1CCCC(N)C1
InChIInChI=1S/C16H33N3O/c1-12(2)8-15(11-19(3)4)18-16(20)10-13-6-5-7-14(17)9-13/h12-15H,5-11,17H2,1-4H3,(H,18,20)
InChIKeyXOAYZNHMMKACSP-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.99
Rot. Bonds7

About 2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]acetamide

2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]acetamide (PubChem CID 62782922) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]acetamide
PubChem CID62782922
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]acetamide
SMILESCC(C)CC(CN(C)C)NC(=O)CC1CCCC(N)C1
InChIInChI=1S/C16H33N3O/c1-12(2)8-15(11-19(3)4)18-16(20)10-13-6-5-7-14(17)9-13/h12-15H,5-11,17H2,1-4H3,(H,18,20)
InChIKeyXOAYZNHMMKACSP-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminocyclohexyl)-N-propan-2-ylacetamide
CID 62777908
2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide
CID 106592817
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159056
N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159057
N-(1-amino-4-methylpentan-2-yl)-2-cyclopentylacetamide
CID 63753245
2-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61247343
2-(3-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide
CID 64603511
2-(4-aminocyclohexyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 62782742
[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 61059405
1-cyclopentyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 86811911
4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 62782597
1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 55769941

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]acetamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]acetamide (CID 62782922) is 2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]acetamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]acetamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]acetamide is CC(C)CC(CN(C)C)NC(=O)CC1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]acetamide?
The InChIKey is XOAYZNHMMKACSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-12(2)8-15(11-19(3)4)18-16(20)10-13-6-5-7-14(17)9-13/h12-15H,5-11,17H2,1-4H3,(H,18,20).
What are the key properties of 2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]acetamide?
2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]acetamide has a molecular weight of 283.46 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]acetamide is sourced from PubChem (CID 62782922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).