N-(4-aminocyclohexyl)-2-(dimethylamino)-3-methylbutanamide

C13H27N3O — CID 119476097

IUPACN-(4-aminocyclohexyl)-2-(dimethylamino)-3-methylbutanamide
SMILESCC(C)C(C(=O)NC1CCC(N)CC1)N(C)C
InChIInChI=1S/C13H27N3O/c1-9(2)12(16(3)4)13(17)15-11-7-5-10(14)6-8-11/h9-12H,5-8,14H2,1-4H3,(H,15,17)
InChIKeyUBWRVBVHRPGGKH-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds4

About N-(4-aminocyclohexyl)-2-(dimethylamino)-3-methylbutanamide

N-(4-aminocyclohexyl)-2-(dimethylamino)-3-methylbutanamide (PubChem CID 119476097) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(dimethylamino)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(dimethylamino)-3-methylbutanamide
PubChem CID119476097
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-(4-aminocyclohexyl)-2-(dimethylamino)-3-methylbutanamide
SMILESCC(C)C(C(=O)NC1CCC(N)CC1)N(C)C
InChIInChI=1S/C13H27N3O/c1-9(2)12(16(3)4)13(17)15-11-7-5-10(14)6-8-11/h9-12H,5-8,14H2,1-4H3,(H,15,17)
InChIKeyUBWRVBVHRPGGKH-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclopropyl-2-(dimethylamino)propanamide
CID 127013720
N-[4-[[2-(dimethylamino)-3-methylbutanoyl]amino]cyclohexyl]-3,5-dimethylbenzamide
CID 138007304
N-(4-aminocyclohexyl)-2-(propan-2-ylamino)acetamide
CID 62319444
N-(4-aminocyclohexyl)-2-ethoxypropanamide
CID 119478328
N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;dihydrochloride
CID 86277381
N-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride
CID 119474856
6-amino-N-(4-aminocyclohexyl)-2-methylheptanamide
CID 65291413
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
2-amino-N-(4-aminocyclohexyl)pentanamide
CID 62319442
2-(dimethylamino)-3-methyl-N-sulfanylbutanamide
CID 166115605
2-(3-aminoazetidin-1-yl)-N-cyclopropylpropanamide
CID 63761129
(2S)-2-amino-N-[4-[cyclopropyl(methyl)amino]cyclohexyl]propanamide
CID 66568028

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(dimethylamino)-3-methylbutanamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-(dimethylamino)-3-methylbutanamide (CID 119476097) is N-(4-aminocyclohexyl)-2-(dimethylamino)-3-methylbutanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(dimethylamino)-3-methylbutanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(dimethylamino)-3-methylbutanamide is CC(C)C(C(=O)NC1CCC(N)CC1)N(C)C.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(dimethylamino)-3-methylbutanamide?
The InChIKey is UBWRVBVHRPGGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-9(2)12(16(3)4)13(17)15-11-7-5-10(14)6-8-11/h9-12H,5-8,14H2,1-4H3,(H,15,17).
What are the key properties of N-(4-aminocyclohexyl)-2-(dimethylamino)-3-methylbutanamide?
N-(4-aminocyclohexyl)-2-(dimethylamino)-3-methylbutanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(dimethylamino)-3-methylbutanamide is sourced from PubChem (CID 119476097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).