(3E,5Z)-4-chloro-N-methylocta-3,5,7-trien-2-amine

C9H14ClN — CID 134365843

IUPAC(3E,5Z)-4-chloro-N-methylocta-3,5,7-trien-2-amine
SMILESC=C/C=C\C(Cl)=C/C(C)NC
InChIInChI=1S/C9H14ClN/c1-4-5-6-9(10)7-8(2)11-3/h4-8,11H,1H2,2-3H3/b6-5-,9-7+
InChIKeyLVJZXZIAJOUEND-BZWSEGBZSA-N
MW171.67 g/mol
LogP2.46
Rot. Bonds4

About (3E,5Z)-4-chloro-N-methylocta-3,5,7-trien-2-amine

(3E,5Z)-4-chloro-N-methylocta-3,5,7-trien-2-amine (PubChem CID 134365843) has the molecular formula C9H14ClN and a molecular weight of 171.67 g/mol. Its IUPAC name is (3E,5Z)-4-chloro-N-methylocta-3,5,7-trien-2-amine.

Molecular Properties

Compound Name(3E,5Z)-4-chloro-N-methylocta-3,5,7-trien-2-amine
PubChem CID134365843
Molecular FormulaC9H14ClN
Molecular Weight171.67 g/mol
Exact Mass171.08
IUPAC Name(3E,5Z)-4-chloro-N-methylocta-3,5,7-trien-2-amine
SMILESC=C/C=C\C(Cl)=C/C(C)NC
InChIInChI=1S/C9H14ClN/c1-4-5-6-9(10)7-8(2)11-3/h4-8,11H,1H2,2-3H3/b6-5-,9-7+
InChIKeyLVJZXZIAJOUEND-BZWSEGBZSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.67
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-ethenyl-4-(methylamino)pent-2-ene-1-thiol
CID 126727999
N-methylbut-3-en-2-amine;hydrochloride
CID 75525004
(1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine
CID 126689878
6-bromo-5-methylidenehepta-1,3-diene
CID 123730228
(2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine
CID 134369186
(2Z,4Z)-hepta-2,4,6-triene-2,3-diol
CID 130419647
6-methyl-5-methylidenehepta-1,3,6-triene
CID 54100301
(3E,5Z)-2-chloro-4-methoxyocta-1,3,5,7-tetraene
CID 89328698
(1Z,3E)-3-(1-aminoethyl)-5-N-methylhexa-1,3-diene-1,5-diamine
CID 138702947
ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
CID 144723819
7-methyl-5-methylideneocta-1,3-diene
CID 123347446
(3R)-3-(methylamino)pent-4-en-2-ol
CID 118882918

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4-chloro-N-methylocta-3,5,7-trien-2-amine?
The IUPAC name of (3E,5Z)-4-chloro-N-methylocta-3,5,7-trien-2-amine (CID 134365843) is (3E,5Z)-4-chloro-N-methylocta-3,5,7-trien-2-amine.
What is the SMILES notation for (3E,5Z)-4-chloro-N-methylocta-3,5,7-trien-2-amine?
The canonical SMILES for (3E,5Z)-4-chloro-N-methylocta-3,5,7-trien-2-amine is C=C/C=C\C(Cl)=C/C(C)NC.
What is the InChIKey of (3E,5Z)-4-chloro-N-methylocta-3,5,7-trien-2-amine?
The InChIKey is LVJZXZIAJOUEND-BZWSEGBZSA-N. The full InChI is InChI=1S/C9H14ClN/c1-4-5-6-9(10)7-8(2)11-3/h4-8,11H,1H2,2-3H3/b6-5-,9-7+.
What are the key properties of (3E,5Z)-4-chloro-N-methylocta-3,5,7-trien-2-amine?
(3E,5Z)-4-chloro-N-methylocta-3,5,7-trien-2-amine has a molecular weight of 171.67 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-chloro-N-methylocta-3,5,7-trien-2-amine is sourced from PubChem (CID 134365843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).