(2E)-N-chloro-3,7-dimethylocta-2,6-dien-1-amine

C10H18ClN — CID 141263523

IUPAC(2E)-N-chloro-3,7-dimethylocta-2,6-dien-1-amine
SMILESCC(C)=CCC/C(C)=C/CNCl
InChIInChI=1S/C10H18ClN/c1-9(2)5-4-6-10(3)7-8-12-11/h5,7,12H,4,6,8H2,1-3H3/b10-7+
InChIKeyGTRUJIUIEDGTRD-JXMROGBWSA-N
MW187.71 g/mol
LogP3.42
Rot. Bonds5

About (2E)-N-chloro-3,7-dimethylocta-2,6-dien-1-amine

(2E)-N-chloro-3,7-dimethylocta-2,6-dien-1-amine (PubChem CID 141263523) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is (2E)-N-chloro-3,7-dimethylocta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2E)-N-chloro-3,7-dimethylocta-2,6-dien-1-amine
PubChem CID141263523
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC Name(2E)-N-chloro-3,7-dimethylocta-2,6-dien-1-amine
SMILESCC(C)=CCC/C(C)=C/CNCl
InChIInChI=1S/C10H18ClN/c1-9(2)5-4-6-10(3)7-8-12-11/h5,7,12H,4,6,8H2,1-3H3/b10-7+
InChIKeyGTRUJIUIEDGTRD-JXMROGBWSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 53.42
H-Bond Donors ≤ 51
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

(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide
CID 59266741
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide
CID 14993064
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589
(2Z)-3,7-dimethylocta-2,6-dien-1-amine
CID 5362850
(2E,6E,10E,14E,18E,22E,26E,30E,34E)-1-chloro-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaene
CID 13174780
(2E)-3,7-dimethyl-N-[(E)-prop-1-enyl]octa-2,6-dien-1-amine
CID 142550105
N-tert-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
CID 54479150
(10E)-13-chloro-2,6,10-trimethyltrideca-2,6,10-triene
CID 118038499

Frequently Asked Questions

What is the IUPAC name of (2E)-N-chloro-3,7-dimethylocta-2,6-dien-1-amine?
The IUPAC name of (2E)-N-chloro-3,7-dimethylocta-2,6-dien-1-amine (CID 141263523) is (2E)-N-chloro-3,7-dimethylocta-2,6-dien-1-amine.
What is the SMILES notation for (2E)-N-chloro-3,7-dimethylocta-2,6-dien-1-amine?
The canonical SMILES for (2E)-N-chloro-3,7-dimethylocta-2,6-dien-1-amine is CC(C)=CCC/C(C)=C/CNCl.
What is the InChIKey of (2E)-N-chloro-3,7-dimethylocta-2,6-dien-1-amine?
The InChIKey is GTRUJIUIEDGTRD-JXMROGBWSA-N. The full InChI is InChI=1S/C10H18ClN/c1-9(2)5-4-6-10(3)7-8-12-11/h5,7,12H,4,6,8H2,1-3H3/b10-7+.
What are the key properties of (2E)-N-chloro-3,7-dimethylocta-2,6-dien-1-amine?
(2E)-N-chloro-3,7-dimethylocta-2,6-dien-1-amine has a molecular weight of 187.71 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-chloro-3,7-dimethylocta-2,6-dien-1-amine is sourced from PubChem (CID 141263523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).