2-(2-chloroethyl)-N-(2-methylpentyl)pentan-1-amine

C13H28ClN — CID 106117203

IUPAC2-(2-chloroethyl)-N-(2-methylpentyl)pentan-1-amine
SMILESCCCC(C)CNCC(CCC)CCCl
InChIInChI=1S/C13H28ClN/c1-4-6-12(3)10-15-11-13(7-5-2)8-9-14/h12-13,15H,4-11H2,1-3H3
InChIKeyWPGXNBZFAGOLLH-UHFFFAOYSA-N
MW233.83 g/mol
LogP4.06
Rot. Bonds10

About 2-(2-chloroethyl)-N-(2-methylpentyl)pentan-1-amine

2-(2-chloroethyl)-N-(2-methylpentyl)pentan-1-amine (PubChem CID 106117203) has the molecular formula C13H28ClN and a molecular weight of 233.83 g/mol. Its IUPAC name is 2-(2-chloroethyl)-N-(2-methylpentyl)pentan-1-amine.

Molecular Properties

Compound Name2-(2-chloroethyl)-N-(2-methylpentyl)pentan-1-amine
PubChem CID106117203
Molecular FormulaC13H28ClN
Molecular Weight233.83 g/mol
Exact Mass233.19
IUPAC Name2-(2-chloroethyl)-N-(2-methylpentyl)pentan-1-amine
SMILESCCCC(C)CNCC(CCC)CCCl
InChIInChI=1S/C13H28ClN/c1-4-6-12(3)10-15-11-13(7-5-2)8-9-14/h12-13,15H,4-11H2,1-3H3
InChIKeyWPGXNBZFAGOLLH-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.83
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-N-(2,2-difluoroethyl)pentan-1-amine
CID 106117170
2-(2-chloroethyl)-N-(cyclopropylmethyl)pentan-1-amine
CID 106117073
3-methyl-4-(2-methylpentylamino)butan-1-ol
CID 66092685
2-(2-chloroethyl)-N-(3-ethoxypropyl)pentan-1-amine
CID 106117140
N,2-dipropylpentan-1-amine
CID 62530512
2-(2-chloroethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 106117244
N-(2-methylpropyl)-2-propylheptan-1-amine
CID 63523290
2-(2-chloroethyl)-N-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine
CID 106117199
2-(2-chloroethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 106117233
2-N-cyclopropyl-2-N-methyl-1-N-(2-methylpentyl)propane-1,2-diamine
CID 115907091
2-(2-chloroethyl)-N-[(2-fluorophenyl)methyl]pentan-1-amine
CID 106117128
2-ethyl-4-methyl-N-(2-methylpropyl)heptan-1-amine
CID 63520986

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-N-(2-methylpentyl)pentan-1-amine?
The IUPAC name of 2-(2-chloroethyl)-N-(2-methylpentyl)pentan-1-amine (CID 106117203) is 2-(2-chloroethyl)-N-(2-methylpentyl)pentan-1-amine.
What is the SMILES notation for 2-(2-chloroethyl)-N-(2-methylpentyl)pentan-1-amine?
The canonical SMILES for 2-(2-chloroethyl)-N-(2-methylpentyl)pentan-1-amine is CCCC(C)CNCC(CCC)CCCl.
What is the InChIKey of 2-(2-chloroethyl)-N-(2-methylpentyl)pentan-1-amine?
The InChIKey is WPGXNBZFAGOLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28ClN/c1-4-6-12(3)10-15-11-13(7-5-2)8-9-14/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 2-(2-chloroethyl)-N-(2-methylpentyl)pentan-1-amine?
2-(2-chloroethyl)-N-(2-methylpentyl)pentan-1-amine has a molecular weight of 233.83 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-N-(2-methylpentyl)pentan-1-amine is sourced from PubChem (CID 106117203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).