2-amino-N-[2-(dimethylamino)-3-methylbutyl]cyclohexane-1-carboxamide

C14H29N3O — CID 64822467

IUPAC2-amino-N-[2-(dimethylamino)-3-methylbutyl]cyclohexane-1-carboxamide
SMILESCC(C)C(CNC(=O)C1CCCCC1N)N(C)C
InChIInChI=1S/C14H29N3O/c1-10(2)13(17(3)4)9-16-14(18)11-7-5-6-8-12(11)15/h10-13H,5-9,15H2,1-4H3,(H,16,18)
InChIKeyGFRWBFMDQAKMRV-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.21
Rot. Bonds5

About 2-amino-N-[2-(dimethylamino)-3-methylbutyl]cyclohexane-1-carboxamide

2-amino-N-[2-(dimethylamino)-3-methylbutyl]cyclohexane-1-carboxamide (PubChem CID 64822467) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-3-methylbutyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-3-methylbutyl]cyclohexane-1-carboxamide
PubChem CID64822467
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-amino-N-[2-(dimethylamino)-3-methylbutyl]cyclohexane-1-carboxamide
SMILESCC(C)C(CNC(=O)C1CCCCC1N)N(C)C
InChIInChI=1S/C14H29N3O/c1-10(2)13(17(3)4)9-16-14(18)11-7-5-6-8-12(11)15/h10-13H,5-9,15H2,1-4H3,(H,16,18)
InChIKeyGFRWBFMDQAKMRV-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221074
2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119875547
3-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid
CID 64824640
2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
CID 62775948
2-[[2-(dimethylamino)-3-methylbutyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390540
(2S)-3-[(2-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid
CID 107835745
2-amino-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide
CID 82937442
2-amino-N-(2-hydroxy-4-methylpentyl)cyclopentane-1-carboxamide
CID 103812101
5-[(2-aminocycloheptanecarbonyl)amino]-4-methylpentanoic acid
CID 82689474
2-amino-N-[2-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 114995868
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 64823053
2-amino-N-[(4-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 63247870

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-3-methylbutyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-3-methylbutyl]cyclohexane-1-carboxamide (CID 64822467) is 2-amino-N-[2-(dimethylamino)-3-methylbutyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-3-methylbutyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-3-methylbutyl]cyclohexane-1-carboxamide is CC(C)C(CNC(=O)C1CCCCC1N)N(C)C.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-3-methylbutyl]cyclohexane-1-carboxamide?
The InChIKey is GFRWBFMDQAKMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-10(2)13(17(3)4)9-16-14(18)11-7-5-6-8-12(11)15/h10-13H,5-9,15H2,1-4H3,(H,16,18).
What are the key properties of 2-amino-N-[2-(dimethylamino)-3-methylbutyl]cyclohexane-1-carboxamide?
2-amino-N-[2-(dimethylamino)-3-methylbutyl]cyclohexane-1-carboxamide has a molecular weight of 255.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-3-methylbutyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64822467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).