5-chloro-N-(3-methoxy-3-methylbutyl)pentan-2-amine

C11H24ClNO — CID 103037206

IUPAC5-chloro-N-(3-methoxy-3-methylbutyl)pentan-2-amine
SMILESCOC(C)(C)CCNC(C)CCCCl
InChIInChI=1S/C11H24ClNO/c1-10(6-5-8-12)13-9-7-11(2,3)14-4/h10,13H,5-9H2,1-4H3
InChIKeySBDGZJFBMOLKQW-UHFFFAOYSA-N
MW221.77 g/mol
LogP2.80
Rot. Bonds8

About 5-chloro-N-(3-methoxy-3-methylbutyl)pentan-2-amine

5-chloro-N-(3-methoxy-3-methylbutyl)pentan-2-amine (PubChem CID 103037206) has the molecular formula C11H24ClNO and a molecular weight of 221.77 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxy-3-methylbutyl)pentan-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-methoxy-3-methylbutyl)pentan-2-amine
PubChem CID103037206
Molecular FormulaC11H24ClNO
Molecular Weight221.77 g/mol
Exact Mass221.15
IUPAC Name5-chloro-N-(3-methoxy-3-methylbutyl)pentan-2-amine
SMILESCOC(C)(C)CCNC(C)CCCCl
InChIInChI=1S/C11H24ClNO/c1-10(6-5-8-12)13-9-7-11(2,3)14-4/h10,13H,5-9H2,1-4H3
InChIKeySBDGZJFBMOLKQW-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.77
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(3-methoxy-3-methylbutyl)pentan-2-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

2-[(3-methoxy-3-methylbutyl)amino]propan-1-ol
CID 103019922
2-N-(3-methoxy-3-methylbutyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103019955
N-(1-ethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine
CID 103033262
6-(3-methoxy-3-methylbutoxy)-N-propylhexan-2-amine
CID 106665349
N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine
CID 115712795
N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine
CID 107319870
N-(1,1-dimethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine
CID 106675441
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
1-N-cyclopropyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine
CID 103019940
4-chloro-N-(3-methoxy-3-methylbutyl)-2-methylbutan-2-amine
CID 103037274
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-chloropentan-2-amine
CID 104567239
methyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate
CID 103033239

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methoxy-3-methylbutyl)pentan-2-amine?
The IUPAC name of 5-chloro-N-(3-methoxy-3-methylbutyl)pentan-2-amine (CID 103037206) is 5-chloro-N-(3-methoxy-3-methylbutyl)pentan-2-amine.
What is the SMILES notation for 5-chloro-N-(3-methoxy-3-methylbutyl)pentan-2-amine?
The canonical SMILES for 5-chloro-N-(3-methoxy-3-methylbutyl)pentan-2-amine is COC(C)(C)CCNC(C)CCCCl.
What is the InChIKey of 5-chloro-N-(3-methoxy-3-methylbutyl)pentan-2-amine?
The InChIKey is SBDGZJFBMOLKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO/c1-10(6-5-8-12)13-9-7-11(2,3)14-4/h10,13H,5-9H2,1-4H3.
What are the key properties of 5-chloro-N-(3-methoxy-3-methylbutyl)pentan-2-amine?
5-chloro-N-(3-methoxy-3-methylbutyl)pentan-2-amine has a molecular weight of 221.77 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methoxy-3-methylbutyl)pentan-2-amine is sourced from PubChem (CID 103037206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).