N-(3-chloro-2,2-dimethylpropyl)-3-methoxy-3-methylbutan-1-amine

C11H24ClNO — CID 103037242

IUPACN-(3-chloro-2,2-dimethylpropyl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CCNCC(C)(C)CCl
InChIInChI=1S/C11H24ClNO/c1-10(2,8-12)9-13-7-6-11(3,4)14-5/h13H,6-9H2,1-5H3
InChIKeyHNJRRFXKDZRECX-UHFFFAOYSA-N
MW221.77 g/mol
LogP2.66
Rot. Bonds7

About N-(3-chloro-2,2-dimethylpropyl)-3-methoxy-3-methylbutan-1-amine

N-(3-chloro-2,2-dimethylpropyl)-3-methoxy-3-methylbutan-1-amine (PubChem CID 103037242) has the molecular formula C11H24ClNO and a molecular weight of 221.77 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylpropyl)-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylpropyl)-3-methoxy-3-methylbutan-1-amine
PubChem CID103037242
Molecular FormulaC11H24ClNO
Molecular Weight221.77 g/mol
Exact Mass221.15
IUPAC NameN-(3-chloro-2,2-dimethylpropyl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CCNCC(C)(C)CCl
InChIInChI=1S/C11H24ClNO/c1-10(2,8-12)9-13-7-6-11(3,4)14-5/h13H,6-9H2,1-5H3
InChIKeyHNJRRFXKDZRECX-UHFFFAOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.77
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-chloro-2,2-dimethylpropyl)-3-methoxy-3-methylbutan-1-amine 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

5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol
CID 106144667
3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propan-1-amine
CID 115363475
N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine
CID 107319870
3-[(3-methoxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol
CID 103033421
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine
CID 104760312
3-chloro-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine
CID 115363591
4-chloro-N-(3-methoxy-3-methylbutyl)-2-methylbutan-2-amine
CID 103037274
N-(3-chloro-2,2-dimethylpropyl)nonan-1-amine
CID 115363470
N-ethyl-6-methoxy-3,3,6-trimethylheptan-1-amine
CID 103019881
N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine
CID 103033199
2,5-dimethoxy-2,5-dimethylhexane
CID 552009

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-3-methoxy-3-methylbutan-1-amine (CID 103037242) is N-(3-chloro-2,2-dimethylpropyl)-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for N-(3-chloro-2,2-dimethylpropyl)-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for N-(3-chloro-2,2-dimethylpropyl)-3-methoxy-3-methylbutan-1-amine is COC(C)(C)CCNCC(C)(C)CCl.
What is the InChIKey of N-(3-chloro-2,2-dimethylpropyl)-3-methoxy-3-methylbutan-1-amine?
The InChIKey is HNJRRFXKDZRECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO/c1-10(2,8-12)9-13-7-6-11(3,4)14-5/h13H,6-9H2,1-5H3.
What are the key properties of N-(3-chloro-2,2-dimethylpropyl)-3-methoxy-3-methylbutan-1-amine?
N-(3-chloro-2,2-dimethylpropyl)-3-methoxy-3-methylbutan-1-amine has a molecular weight of 221.77 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,2-dimethylpropyl)-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103037242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).