2-[(1-aminocycloheptyl)methoxy]-N-propan-2-ylpropanamide

C14H28N2O2 — CID 64551906

IUPAC2-[(1-aminocycloheptyl)methoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)OCC1(N)CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-11(2)16-13(17)12(3)18-10-14(15)8-6-4-5-7-9-14/h11-12H,4-10,15H2,1-3H3,(H,16,17)
InChIKeyKKEDZPNNQNSFKH-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.97
Rot. Bonds5

About 2-[(1-aminocycloheptyl)methoxy]-N-propan-2-ylpropanamide

2-[(1-aminocycloheptyl)methoxy]-N-propan-2-ylpropanamide (PubChem CID 64551906) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[(1-aminocycloheptyl)methoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(1-aminocycloheptyl)methoxy]-N-propan-2-ylpropanamide
PubChem CID64551906
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[(1-aminocycloheptyl)methoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)OCC1(N)CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-11(2)16-13(17)12(3)18-10-14(15)8-6-4-5-7-9-14/h11-12H,4-10,15H2,1-3H3,(H,16,17)
InChIKeyKKEDZPNNQNSFKH-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1-aminocycloheptyl)methoxy]-N-propan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-aminocycloheptyl)methoxy]-N-(2-methylpropyl)propanamide
CID 64551905
2-[(1-aminocycloheptyl)methoxy]-N-cyclopentylpropanamide
CID 64549979
2-[(1-aminocycloheptyl)methoxy]-N-pentylpropanamide
CID 64551486
2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide
CID 64572690
2-[(1-aminocyclohexyl)methoxy]-N-(ethylcarbamoyl)propanamide
CID 106938268
2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylpropanamide
CID 64549565
2-[(1-aminocycloheptyl)methoxy]-N-(2-methylbutan-2-yl)propanamide
CID 64548742
2-[(1-aminocyclopentyl)methoxy]-N-phenylpropanamide
CID 64574375
2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one
CID 64572244
(1-aminocycloheptyl)methyl propan-2-yl carbonate
CID 79337960
ethyl 2-[(1-aminocycloheptyl)methoxy]butanoate
CID 106940160
1-(pentan-2-yloxymethyl)cyclohexan-1-amine
CID 107891879

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocycloheptyl)methoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(1-aminocycloheptyl)methoxy]-N-propan-2-ylpropanamide (CID 64551906) is 2-[(1-aminocycloheptyl)methoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(1-aminocycloheptyl)methoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(1-aminocycloheptyl)methoxy]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)OCC1(N)CCCCCC1.
What is the InChIKey of 2-[(1-aminocycloheptyl)methoxy]-N-propan-2-ylpropanamide?
The InChIKey is KKEDZPNNQNSFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)16-13(17)12(3)18-10-14(15)8-6-4-5-7-9-14/h11-12H,4-10,15H2,1-3H3,(H,16,17).
What are the key properties of 2-[(1-aminocycloheptyl)methoxy]-N-propan-2-ylpropanamide?
2-[(1-aminocycloheptyl)methoxy]-N-propan-2-ylpropanamide has a molecular weight of 256.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocycloheptyl)methoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 64551906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).