4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride

C15H31ClN2O2 — CID 119343546

IUPAC4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride
SMILESCCCCOC1CC(N(C)C(=O)CCCN)C1(C)C.Cl
InChIInChI=1S/C15H30N2O2.ClH/c1-5-6-10-19-13-11-12(15(13,2)3)17(4)14(18)8-7-9-16;/h12-13H,5-11,16H2,1-4H3;1H
InChIKeyTVHFTEGJZULEKJ-UHFFFAOYSA-N
MW306.88 g/mol
LogP2.59
Rot. Bonds8

About 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride

4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride (PubChem CID 119343546) has the molecular formula C15H31ClN2O2 and a molecular weight of 306.88 g/mol. Its IUPAC name is 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride
PubChem CID119343546
Molecular FormulaC15H31ClN2O2
Molecular Weight306.88 g/mol
Exact Mass306.21
IUPAC Name4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride
SMILESCCCCOC1CC(N(C)C(=O)CCCN)C1(C)C.Cl
InChIInChI=1S/C15H30N2O2.ClH/c1-5-6-10-19-13-11-12(15(13,2)3)17(4)14(18)8-7-9-16;/h12-13H,5-11,16H2,1-4H3;1H
InChIKeyTVHFTEGJZULEKJ-UHFFFAOYSA-N
XLogP2.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride 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-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylacetamide;hydrochloride
CID 119818521
4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylbutanamide;hydrochloride
CID 119335024
N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119818533
7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylheptanamide;hydrochloride
CID 119803589
(2S,4S)-N-(3-butoxy-2,2-dimethylcyclobutyl)-N,2-dimethylpiperidine-4-carboxamide
CID 120638197
3-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride
CID 119799255
4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylbutanamide;hydrochloride
CID 119342989
4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide
CID 120563993
2-[[3-[[(3-butoxy-2,2-dimethylcyclobutyl)-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122026335
N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 124683923
(2S)-2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide
CID 119819267
N-[(1R,3S)-3-butoxy-2,2-dimethylcyclobutyl]-N-methylpyrido[2,3-b]pyrazine-6-carboxamide
CID 124848711

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride?
The IUPAC name of 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride (CID 119343546) is 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride is CCCCOC1CC(N(C)C(=O)CCCN)C1(C)C.Cl.
What is the InChIKey of 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride?
The InChIKey is TVHFTEGJZULEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2.ClH/c1-5-6-10-19-13-11-12(15(13,2)3)17(4)14(18)8-7-9-16;/h12-13H,5-11,16H2,1-4H3;1H.
What are the key properties of 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride?
4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride has a molecular weight of 306.88 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 119343546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).