N-(4-chloropentyl)-2-ethylhexan-1-amine

C13H28ClN — CID 106121824

IUPACN-(4-chloropentyl)-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCCCC(C)Cl
InChIInChI=1S/C13H28ClN/c1-4-6-9-13(5-2)11-15-10-7-8-12(3)14/h12-13,15H,4-11H2,1-3H3
InChIKeyYTBICOBGFGSHKP-UHFFFAOYSA-N
MW233.83 g/mol
LogP4.20
Rot. Bonds10

About N-(4-chloropentyl)-2-ethylhexan-1-amine

N-(4-chloropentyl)-2-ethylhexan-1-amine (PubChem CID 106121824) has the molecular formula C13H28ClN and a molecular weight of 233.83 g/mol. Its IUPAC name is N-(4-chloropentyl)-2-ethylhexan-1-amine.

Molecular Properties

Compound NameN-(4-chloropentyl)-2-ethylhexan-1-amine
PubChem CID106121824
Molecular FormulaC13H28ClN
Molecular Weight233.83 g/mol
Exact Mass233.19
IUPAC NameN-(4-chloropentyl)-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCCCC(C)Cl
InChIInChI=1S/C13H28ClN/c1-4-6-9-13(5-2)11-15-10-7-8-12(3)14/h12-13,15H,4-11H2,1-3H3
InChIKeyYTBICOBGFGSHKP-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-pentylhexan-1-amine
CID 43081963
2-chloro-6-ethyldecane
CID 64514713
N'-(2-ethylhexyl)-2-methylpentane-1,5-diamine
CID 107815978
N'-(2-ethylhexyl)-3-methylhexane-1,6-diamine
CID 114004218
N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine
CID 59929730
N-(4-chloropentyl)nonan-1-amine
CID 106121562
N,2-diethylhexan-1-amine
CID 14272988
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
N-butyl-2-ethylpentane-1,5-diamine
CID 174821174
3-N-(2-ethylhexyl)propane-1,1,3-triamine
CID 142717096
2-ethyl-N-(4,4,4-trifluorobutyl)hexan-1-amine
CID 115518505
2-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine
CID 83142777

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentyl)-2-ethylhexan-1-amine?
The IUPAC name of N-(4-chloropentyl)-2-ethylhexan-1-amine (CID 106121824) is N-(4-chloropentyl)-2-ethylhexan-1-amine.
What is the SMILES notation for N-(4-chloropentyl)-2-ethylhexan-1-amine?
The canonical SMILES for N-(4-chloropentyl)-2-ethylhexan-1-amine is CCCCC(CC)CNCCCC(C)Cl.
What is the InChIKey of N-(4-chloropentyl)-2-ethylhexan-1-amine?
The InChIKey is YTBICOBGFGSHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28ClN/c1-4-6-9-13(5-2)11-15-10-7-8-12(3)14/h12-13,15H,4-11H2,1-3H3.
What are the key properties of N-(4-chloropentyl)-2-ethylhexan-1-amine?
N-(4-chloropentyl)-2-ethylhexan-1-amine has a molecular weight of 233.83 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentyl)-2-ethylhexan-1-amine is sourced from PubChem (CID 106121824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).