3-[(4,4-dimethylcycloheptyl)amino]-N-methylpropanamide

C13H26N2O — CID 65083464

IUPAC3-[(4,4-dimethylcycloheptyl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNC1CCCC(C)(C)CC1
InChIInChI=1S/C13H26N2O/c1-13(2)8-4-5-11(6-9-13)15-10-7-12(16)14-3/h11,15H,4-10H2,1-3H3,(H,14,16)
InChIKeyFOTLOWYJRPRNES-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.07
Rot. Bonds4

About 3-[(4,4-dimethylcycloheptyl)amino]-N-methylpropanamide

3-[(4,4-dimethylcycloheptyl)amino]-N-methylpropanamide (PubChem CID 65083464) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[(4,4-dimethylcycloheptyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(4,4-dimethylcycloheptyl)amino]-N-methylpropanamide
PubChem CID65083464
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[(4,4-dimethylcycloheptyl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNC1CCCC(C)(C)CC1
InChIInChI=1S/C13H26N2O/c1-13(2)8-4-5-11(6-9-13)15-10-7-12(16)14-3/h11,15H,4-10H2,1-3H3,(H,14,16)
InChIKeyFOTLOWYJRPRNES-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4,4-dimethylcycloheptyl)amino]propanoic acid
CID 65084019
N-cyclopropyl-2-[(4,4-dimethylcycloheptyl)amino]acetamide
CID 65084569
N-cyclopropyl-4-[(4,4-dimethylcyclohexyl)amino]butanamide
CID 79032428
N-butyl-4,4-dimethylcycloheptan-1-amine
CID 65082955
6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol
CID 114008759
3-[[3-(methylamino)-3-oxopropyl]amino]cyclohexane-1-carboxylic acid
CID 63042782
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-methylpropanamide
CID 106658723
4,4-dimethyl-N-(3-methylsulfonylpropyl)cycloheptan-1-amine
CID 65083791
3-[(5,5-dimethylthian-3-yl)amino]-N-methylpropanamide
CID 79958079
N-methyl-2-(spiro[4.5]decan-8-ylamino)acetamide
CID 114817238
tert-butyl 3-[(4,4-dimethylcyclohexyl)amino]propanoate
CID 113243262
N-propan-2-yl-3-(spiro[4.5]decan-8-ylamino)propanamide
CID 114817884

Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-dimethylcycloheptyl)amino]-N-methylpropanamide?
The IUPAC name of 3-[(4,4-dimethylcycloheptyl)amino]-N-methylpropanamide (CID 65083464) is 3-[(4,4-dimethylcycloheptyl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[(4,4-dimethylcycloheptyl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[(4,4-dimethylcycloheptyl)amino]-N-methylpropanamide is CNC(=O)CCNC1CCCC(C)(C)CC1.
What is the InChIKey of 3-[(4,4-dimethylcycloheptyl)amino]-N-methylpropanamide?
The InChIKey is FOTLOWYJRPRNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2)8-4-5-11(6-9-13)15-10-7-12(16)14-3/h11,15H,4-10H2,1-3H3,(H,14,16).
What are the key properties of 3-[(4,4-dimethylcycloheptyl)amino]-N-methylpropanamide?
3-[(4,4-dimethylcycloheptyl)amino]-N-methylpropanamide has a molecular weight of 226.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-dimethylcycloheptyl)amino]-N-methylpropanamide is sourced from PubChem (CID 65083464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).