N-(2-chloroethyl)-N,2-diethylhexan-1-amine

C12H26ClN — CID 63386988

IUPACN-(2-chloroethyl)-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)CN(CC)CCCl
InChIInChI=1S/C12H26ClN/c1-4-7-8-12(5-2)11-14(6-3)10-9-13/h12H,4-11H2,1-3H3
InChIKeyHYLSDJXPXAVPIN-UHFFFAOYSA-N
MW219.80 g/mol
LogP3.76
Rot. Bonds9

About N-(2-chloroethyl)-N,2-diethylhexan-1-amine

N-(2-chloroethyl)-N,2-diethylhexan-1-amine (PubChem CID 63386988) has the molecular formula C12H26ClN and a molecular weight of 219.80 g/mol. Its IUPAC name is N-(2-chloroethyl)-N,2-diethylhexan-1-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N,2-diethylhexan-1-amine
PubChem CID63386988
Molecular FormulaC12H26ClN
Molecular Weight219.80 g/mol
Exact Mass219.18
IUPAC NameN-(2-chloroethyl)-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)CN(CC)CCCl
InChIInChI=1S/C12H26ClN/c1-4-7-8-12(5-2)11-14(6-3)10-9-13/h12H,4-11H2,1-3H3
InChIKeyHYLSDJXPXAVPIN-UHFFFAOYSA-N
XLogP3.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.80
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-2-ethyl-N-methylhexan-1-amine
CID 63386815
(2S)-N,N-dibutyl-2-ethylhexan-1-amine
CID 40541425
2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
CID 23468552
6-chloro-N-ethyl-N-(2-ethylbutyl)hexan-1-amine
CID 63447266
N-ethyl-N,2-dihexyldecan-1-amine
CID 139891233
1,1,2,2-tetrakis(2-ethylhexyl)hydrazine
CID 123650144
N-(2-ethylhexyl)-N-(7-methyloctyl)decan-1-amine
CID 152619191
N-(2-chloroethyl)-N-ethyl-2-methylpropan-1-amine
CID 61289336
N-(2-chloroethyl)-N-ethyl-4-methylpentan-1-amine
CID 83169075
2-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine
CID 19751114
N-(2-chloroethyl)-N-ethylheptan-1-amine
CID 63386883
N-(2-chloroethyl)-N-ethylhexadecan-1-amine
CID 88604159

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N,2-diethylhexan-1-amine?
The IUPAC name of N-(2-chloroethyl)-N,2-diethylhexan-1-amine (CID 63386988) is N-(2-chloroethyl)-N,2-diethylhexan-1-amine.
What is the SMILES notation for N-(2-chloroethyl)-N,2-diethylhexan-1-amine?
The canonical SMILES for N-(2-chloroethyl)-N,2-diethylhexan-1-amine is CCCCC(CC)CN(CC)CCCl.
What is the InChIKey of N-(2-chloroethyl)-N,2-diethylhexan-1-amine?
The InChIKey is HYLSDJXPXAVPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26ClN/c1-4-7-8-12(5-2)11-14(6-3)10-9-13/h12H,4-11H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-N,2-diethylhexan-1-amine?
N-(2-chloroethyl)-N,2-diethylhexan-1-amine has a molecular weight of 219.80 g/mol, XLogP of 3.76, 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,2-diethylhexan-1-amine is sourced from PubChem (CID 63386988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).