N-(2-chloroethyl)-N-ethylheptan-1-amine

C11H24ClN — CID 63386883

IUPACN-(2-chloroethyl)-N-ethylheptan-1-amine
SMILESCCCCCCCN(CC)CCCl
InChIInChI=1S/C11H24ClN/c1-3-5-6-7-8-10-13(4-2)11-9-12/h3-11H2,1-2H3
InChIKeyVXNNDNWFHOYAAR-UHFFFAOYSA-N
MW205.77 g/mol
LogP3.52
Rot. Bonds9

About N-(2-chloroethyl)-N-ethylheptan-1-amine

N-(2-chloroethyl)-N-ethylheptan-1-amine (PubChem CID 63386883) has the molecular formula C11H24ClN and a molecular weight of 205.77 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethylheptan-1-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethylheptan-1-amine
PubChem CID63386883
Molecular FormulaC11H24ClN
Molecular Weight205.77 g/mol
Exact Mass205.16
IUPAC NameN-(2-chloroethyl)-N-ethylheptan-1-amine
SMILESCCCCCCCN(CC)CCCl
InChIInChI=1S/C11H24ClN/c1-3-5-6-7-8-10-13(4-2)11-9-12/h3-11H2,1-2H3
InChIKeyVXNNDNWFHOYAAR-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.77
LogP ≤ 53.52
H-Bond Donors ≤ 50
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

N-(2-chloroethyl)-N-ethylhexadecan-1-amine
CID 88604159
N-butyl-N-(2-chloroethyl)heptan-1-amine
CID 63389515
N-(2-chloroethyl)-N-propyloctan-1-amine
CID 63387003
N,N-bis(2-chloroethyl)pentan-1-amine;dihydrochloride
CID 23513817
N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
CID 19837420
N-ethyl-N-propyldecan-1-amine
CID 56933807
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine
CID 171750142
N'-(5-chloropentyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102996112
N',N'-bis(2-chloroethyl)-N,N-diethylpropane-1,3-diamine
CID 3022030
chloromethane;N,N-dioctyloctan-1-amine
CID 87084732
2-[ethyl(nonyl)amino]ethanol
CID 62021397

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethylheptan-1-amine?
The IUPAC name of N-(2-chloroethyl)-N-ethylheptan-1-amine (CID 63386883) is N-(2-chloroethyl)-N-ethylheptan-1-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-ethylheptan-1-amine?
The canonical SMILES for N-(2-chloroethyl)-N-ethylheptan-1-amine is CCCCCCCN(CC)CCCl.
What is the InChIKey of N-(2-chloroethyl)-N-ethylheptan-1-amine?
The InChIKey is VXNNDNWFHOYAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClN/c1-3-5-6-7-8-10-13(4-2)11-9-12/h3-11H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-ethylheptan-1-amine?
N-(2-chloroethyl)-N-ethylheptan-1-amine has a molecular weight of 205.77 g/mol, XLogP of 3.52, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-ethylheptan-1-amine is sourced from PubChem (CID 63386883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).