(E)-N-butyl-N-chloro-2,2-dimethylhex-4-en-1-amine

C12H24ClN — CID 11298915

IUPAC(E)-N-butyl-N-chloro-2,2-dimethylhex-4-en-1-amine
SMILESC/C=C/CC(C)(C)CN(Cl)CCCC
InChIInChI=1S/C12H24ClN/c1-5-7-9-12(3,4)11-14(13)10-8-6-2/h5,7H,6,8-11H2,1-4H3/b7-5+
InChIKeyODGMCGGTDKNLOQ-FNORWQNLSA-N
MW217.78 g/mol
LogP4.23
Rot. Bonds7

About (E)-N-butyl-N-chloro-2,2-dimethylhex-4-en-1-amine

(E)-N-butyl-N-chloro-2,2-dimethylhex-4-en-1-amine (PubChem CID 11298915) has the molecular formula C12H24ClN and a molecular weight of 217.78 g/mol. Its IUPAC name is (E)-N-butyl-N-chloro-2,2-dimethylhex-4-en-1-amine.

Molecular Properties

Compound Name(E)-N-butyl-N-chloro-2,2-dimethylhex-4-en-1-amine
PubChem CID11298915
Molecular FormulaC12H24ClN
Molecular Weight217.78 g/mol
Exact Mass217.16
IUPAC Name(E)-N-butyl-N-chloro-2,2-dimethylhex-4-en-1-amine
SMILESC/C=C/CC(C)(C)CN(Cl)CCCC
InChIInChI=1S/C12H24ClN/c1-5-7-9-12(3,4)11-14(13)10-8-6-2/h5,7H,6,8-11H2,1-4H3/b7-5+
InChIKeyODGMCGGTDKNLOQ-FNORWQNLSA-N
XLogP4.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.78
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

10,10-dimethylhenicos-2-ene
CID 123622091
N-chloro-N-hexylhexan-1-amine
CID 18618962
(Z)-oct-2-ene
CID 5356796
hexane;(Z)-hex-2-ene
CID 159343029
8,8-dimethylundec-2-ene
CID 123615624
N-chloro-N-octyloctan-1-amine;hydrate
CID 142772534
(2E,7E)-dodeca-2,7-diene
CID 173295735
(Z)-icos-2-ene
CID 5352524
oct-2-ene;hydrochloride
CID 86744102
hept-2-ene;methanol
CID 135236025
formic acid;oct-2-ene
CID 159391664
(2E,6E)-9-tert-butyltrideca-2,6-diene
CID 176585534

Frequently Asked Questions

What is the IUPAC name of (E)-N-butyl-N-chloro-2,2-dimethylhex-4-en-1-amine?
The IUPAC name of (E)-N-butyl-N-chloro-2,2-dimethylhex-4-en-1-amine (CID 11298915) is (E)-N-butyl-N-chloro-2,2-dimethylhex-4-en-1-amine.
What is the SMILES notation for (E)-N-butyl-N-chloro-2,2-dimethylhex-4-en-1-amine?
The canonical SMILES for (E)-N-butyl-N-chloro-2,2-dimethylhex-4-en-1-amine is C/C=C/CC(C)(C)CN(Cl)CCCC.
What is the InChIKey of (E)-N-butyl-N-chloro-2,2-dimethylhex-4-en-1-amine?
The InChIKey is ODGMCGGTDKNLOQ-FNORWQNLSA-N. The full InChI is InChI=1S/C12H24ClN/c1-5-7-9-12(3,4)11-14(13)10-8-6-2/h5,7H,6,8-11H2,1-4H3/b7-5+.
What are the key properties of (E)-N-butyl-N-chloro-2,2-dimethylhex-4-en-1-amine?
(E)-N-butyl-N-chloro-2,2-dimethylhex-4-en-1-amine has a molecular weight of 217.78 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butyl-N-chloro-2,2-dimethylhex-4-en-1-amine is sourced from PubChem (CID 11298915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).