N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine

C11H24ClNO — CID 107319870

IUPACN-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CCNCCCCCCl
InChIInChI=1S/C11H24ClNO/c1-11(2,14-3)7-10-13-9-6-4-5-8-12/h13H,4-10H2,1-3H3
InChIKeyWONMSJAWDQJBHY-UHFFFAOYSA-N
MW221.77 g/mol
LogP2.80
Rot. Bonds9

About N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine

N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine (PubChem CID 107319870) has the molecular formula C11H24ClNO and a molecular weight of 221.77 g/mol. Its IUPAC name is N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine
PubChem CID107319870
Molecular FormulaC11H24ClNO
Molecular Weight221.77 g/mol
Exact Mass221.15
IUPAC NameN-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CCNCCCCCCl
InChIInChI=1S/C11H24ClNO/c1-11(2,14-3)7-10-13-9-6-4-5-8-12/h13H,4-10H2,1-3H3
InChIKeyWONMSJAWDQJBHY-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(5-chloropentyl)-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

N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine
CID 103033199
N-(3-methoxy-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine
CID 103020038
5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol
CID 106122501
N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine
CID 103033107
N-(3-methoxy-3-methylbutyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 103033282
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
N-(3-chloro-2,2-dimethylpropyl)-3-methoxy-3-methylbutan-1-amine
CID 103037242
3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine
CID 106675103
3-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine
CID 103033527
5-chloro-N-(3-methoxy-3-methylbutyl)pentan-2-amine
CID 103037206
4-chloro-N-(3-methoxy-3-methylbutyl)-2-methylbutan-2-amine
CID 103037274
3-methoxy-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine
CID 103033177

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine (CID 107319870) is N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine is COC(C)(C)CCNCCCCCCl.
What is the InChIKey of N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine?
The InChIKey is WONMSJAWDQJBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO/c1-11(2,14-3)7-10-13-9-6-4-5-8-12/h13H,4-10H2,1-3H3.
What are the key properties of N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine?
N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine has a molecular weight of 221.77 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 107319870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).