3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide

C14H29N3O — CID 62668555

IUPAC3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide
SMILESCC1CCCC(CNC(=O)C(C)CN)(N(C)C)C1
InChIInChI=1S/C14H29N3O/c1-11-6-5-7-14(8-11,17(3)4)10-16-13(18)12(2)9-15/h11-12H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyKTISFPNCGMRFGW-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.21
Rot. Bonds5

About 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide

3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide (PubChem CID 62668555) 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]-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide
PubChem CID62668555
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide
SMILESCC1CCCC(CNC(=O)C(C)CN)(N(C)C)C1
InChIInChI=1S/C14H29N3O/c1-11-6-5-7-14(8-11,17(3)4)10-16-13(18)12(2)9-15/h11-12H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyKTISFPNCGMRFGW-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-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide
CID 65229264
(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide
CID 61211559
(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide
CID 61211747
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide
CID 76895695
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide
CID 61210809
3-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide
CID 81086937
1-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclopropane-1-carboxamide
CID 115453085
2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide
CID 61211937
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-ethylpropanamide
CID 61211364
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-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(1-hydroxybutan-2-yl)urea
CID 110902752

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide?
The IUPAC name of 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide (CID 62668555) is 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide is CC1CCCC(CNC(=O)C(C)CN)(N(C)C)C1.
What is the InChIKey of 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide?
The InChIKey is KTISFPNCGMRFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11-6-5-7-14(8-11,17(3)4)10-16-13(18)12(2)9-15/h11-12H,5-10,15H2,1-4H3,(H,16,18).
What are the key properties of 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide?
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide 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 3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 62668555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).