3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide

C14H29N3O — CID 61210809

IUPAC3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide
SMILESCC(N)CC(=O)NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C14H29N3O/c1-11-6-5-7-14(9-11,17(3)4)10-16-13(18)8-12(2)15/h11-12H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyCRJVIHCJCOXRAU-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.35
Rot. Bonds5

About 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide

3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide (PubChem CID 61210809) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide
PubChem CID61210809
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide
SMILESCC(N)CC(=O)NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C14H29N3O/c1-11-6-5-7-14(9-11,17(3)4)10-16-13(18)8-12(2)15/h11-12H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyCRJVIHCJCOXRAU-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide
CID 81086937
3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide
CID 119834021
(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide
CID 61211559
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide
CID 76895695
2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide
CID 61211937
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide
CID 62668555
(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide
CID 61211747
2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide
CID 78986830
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentanamide
CID 81071607
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119861051
1-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclopropane-1-carboxamide
CID 115453085
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(1-hydroxypentan-3-yl)urea
CID 111454746

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide?
The IUPAC name of 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide (CID 61210809) is 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide.
What is the SMILES notation for 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide?
The canonical SMILES for 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide is CC(N)CC(=O)NCC1(N(C)C)CCCC(C)C1.
What is the InChIKey of 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide?
The InChIKey is CRJVIHCJCOXRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11-6-5-7-14(9-11,17(3)4)10-16-13(18)8-12(2)15/h11-12H,5-10,15H2,1-4H3,(H,16,18).
What are the key properties of 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide?
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide has a molecular weight of 255.41 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide is sourced from PubChem (CID 61210809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).