(2E,3Z)-N-butyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine

C15H27N — CID 164862462

IUPAC(2E,3Z)-N-butyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine
SMILESC=C/C=C\C(=C/C)CN(CCC)CCCC
InChIInChI=1S/C15H27N/c1-5-9-11-15(8-4)14-16(12-7-3)13-10-6-2/h5,8-9,11H,1,6-7,10,12-14H2,2-4H3/b11-9-,15-8+
InChIKeyYEUUROZUEQAFMH-AAQHYBARSA-N
MW221.39 g/mol
LogP4.19
Rot. Bonds9

About (2E,3Z)-N-butyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine

(2E,3Z)-N-butyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine (PubChem CID 164862462) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (2E,3Z)-N-butyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(2E,3Z)-N-butyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine
PubChem CID164862462
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(2E,3Z)-N-butyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine
SMILESC=C/C=C\C(=C/C)CN(CCC)CCCC
InChIInChI=1S/C15H27N/c1-5-9-11-15(8-4)14-16(12-7-3)13-10-6-2/h5,8-9,11H,1,6-7,10,12-14H2,2-4H3/b11-9-,15-8+
InChIKeyYEUUROZUEQAFMH-AAQHYBARSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,3Z)-N-ethyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine;propane
CID 144845989
ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene
CID 145142585
(3Z,5Z)-5-ethylidenedodeca-1,3-diene
CID 143713569
N-ethyl-N-propylbutan-1-amine;methane;prop-1-ene
CID 178172448
(3Z,5Z)-5-ethylhepta-1,3,5-triene;methane
CID 143680457
N,N-dipropylbutan-1-amine;hydrofluoride
CID 19783533
(2E,3Z)-2-ethylidene-N-methyl-N-(3-methylbut-1-en-2-yl)hexa-3,5-dien-1-amine
CID 138539271
N-(2-methylbut-2-enyl)-N-pentylpentan-1-amine;hydrochloride
CID 155652944
(4Z,5Z)-4-ethylideneocta-5,7-dien-1-ol
CID 89317251
(3Z)-N-methyl-N-propylhexa-1,3,5-trien-2-amine
CID 143165077
(3Z,5Z)-5-ethylhepta-1,3,5-triene;2-methylbuta-1,3-diene
CID 162361818
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-N-butyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine?
The IUPAC name of (2E,3Z)-N-butyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine (CID 164862462) is (2E,3Z)-N-butyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine.
What is the SMILES notation for (2E,3Z)-N-butyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine?
The canonical SMILES for (2E,3Z)-N-butyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine is C=C/C=C\C(=C/C)CN(CCC)CCCC.
What is the InChIKey of (2E,3Z)-N-butyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine?
The InChIKey is YEUUROZUEQAFMH-AAQHYBARSA-N. The full InChI is InChI=1S/C15H27N/c1-5-9-11-15(8-4)14-16(12-7-3)13-10-6-2/h5,8-9,11H,1,6-7,10,12-14H2,2-4H3/b11-9-,15-8+.
What are the key properties of (2E,3Z)-N-butyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine?
(2E,3Z)-N-butyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine has a molecular weight of 221.39 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-N-butyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine is sourced from PubChem (CID 164862462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).