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

C14H31Cl2N3O — CID 119861051

IUPAC2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride
SMILESCC1CCCC(CNC(=O)C(C)(C)N)(N(C)C)C1.Cl.Cl
InChIInChI=1S/C14H29N3O.2ClH/c1-11-7-6-8-14(9-11,17(4)5)10-16-12(18)13(2,3)15;;/h11H,6-10,15H2,1-5H3,(H,16,18);2*1H
InChIKeyITSYFNQNPGVXGE-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.19
Rot. Bonds4

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

2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride (PubChem CID 119861051) has the molecular formula C14H31Cl2N3O and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride
PubChem CID119861051
Molecular FormulaC14H31Cl2N3O
Molecular Weight328.33 g/mol
Exact Mass327.18
IUPAC Name2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride
SMILESCC1CCCC(CNC(=O)C(C)(C)N)(N(C)C)C1.Cl.Cl
InChIInChI=1S/C14H29N3O.2ClH/c1-11-7-6-8-14(9-11,17(4)5)10-16-12(18)13(2,3)15;;/h11H,6-10,15H2,1-5H3,(H,16,18);2*1H
InChIKeyITSYFNQNPGVXGE-UHFFFAOYSA-N
XLogP2.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide
CID 61211375
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide
CID 76895695
2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide
CID 78986830
1-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclopropane-1-carboxamide
CID 115453085
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide
CID 61210809
(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide
CID 61211559
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,5R)-5-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolane-2-carboxamide;dihydrochloride
CID 120798867
1-cyclopropyl-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(2-hydroxyethyl)urea
CID 110902753
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119861113
tert-butyl 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]acetate
CID 61212863

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride (CID 119861051) is 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride is CC1CCCC(CNC(=O)C(C)(C)N)(N(C)C)C1.Cl.Cl.
What is the InChIKey of 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride?
The InChIKey is ITSYFNQNPGVXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O.2ClH/c1-11-7-6-8-14(9-11,17(4)5)10-16-12(18)13(2,3)15;;/h11H,6-10,15H2,1-5H3,(H,16,18);2*1H.
What are the key properties of 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride?
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride has a molecular weight of 328.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride is sourced from PubChem (CID 119861051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).