(2E,3Z)-N-ethyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine;propane

C16H31N — CID 144845989

IUPAC(2E,3Z)-N-ethyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine;propane
SMILESC=C/C=C\C(=C/C)CN(CC)CCC.CCC
InChIInChI=1S/C13H23N.C3H8/c1-5-9-10-13(7-3)12-14(8-4)11-6-2;1-3-2/h5,7,9-10H,1,6,8,11-12H2,2-4H3;3H2,1-2H3/b10-9-,13-7+;
InChIKeyNYYQUHZVQHOJTL-RESLJMQWSA-N
MW237.43 g/mol
LogP4.82
Rot. Bonds7

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

(2E,3Z)-N-ethyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine;propane (PubChem CID 144845989) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is (2E,3Z)-N-ethyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine;propane.

Molecular Properties

Compound Name(2E,3Z)-N-ethyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine;propane
PubChem CID144845989
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name(2E,3Z)-N-ethyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine;propane
SMILESC=C/C=C\C(=C/C)CN(CC)CCC.CCC
InChIInChI=1S/C13H23N.C3H8/c1-5-9-10-13(7-3)12-14(8-4)11-6-2;1-3-2/h5,7,9-10H,1,6,8,11-12H2,2-4H3;3H2,1-2H3/b10-9-,13-7+;
InChIKeyNYYQUHZVQHOJTL-RESLJMQWSA-N
XLogP4.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.82
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-butyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine
CID 164862462
ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene
CID 145142585
(3Z,5Z)-5-ethylhepta-1,3,5-triene;methane
CID 143680457
N'-ethyl-N'-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]-N,N-dimethylethane-1,2-diamine
CID 130183526
ethane;(E)-2-ethenyl-N-ethyl-N-(2-methoxyethyl)but-2-en-1-amine
CID 143677797
(3Z,5Z)-5-ethylidenedodeca-1,3-diene
CID 143713569
(2E,3Z)-2-ethylidene-N-methyl-N-(3-methylbut-1-en-2-yl)hexa-3,5-dien-1-amine
CID 138539271
(3Z,5Z)-5-ethylhepta-1,3,5-triene;2-methylbuta-1,3-diene
CID 162361818
(3Z)-N-methyl-N-propylhexa-1,3,5-trien-2-amine
CID 143165077
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
N,N-diethylpenta-2,4-dien-1-amine
CID 73447905
N-ethyl-N-propylbutan-1-amine;methane;prop-1-ene
CID 178172448

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-N-ethyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine;propane?
The IUPAC name of (2E,3Z)-N-ethyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine;propane (CID 144845989) is (2E,3Z)-N-ethyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine;propane.
What is the SMILES notation for (2E,3Z)-N-ethyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine;propane?
The canonical SMILES for (2E,3Z)-N-ethyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine;propane is C=C/C=C\C(=C/C)CN(CC)CCC.CCC.
What is the InChIKey of (2E,3Z)-N-ethyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine;propane?
The InChIKey is NYYQUHZVQHOJTL-RESLJMQWSA-N. The full InChI is InChI=1S/C13H23N.C3H8/c1-5-9-10-13(7-3)12-14(8-4)11-6-2;1-3-2/h5,7,9-10H,1,6,8,11-12H2,2-4H3;3H2,1-2H3/b10-9-,13-7+;.
What are the key properties of (2E,3Z)-N-ethyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine;propane?
(2E,3Z)-N-ethyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine;propane has a molecular weight of 237.43 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-N-ethyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine;propane is sourced from PubChem (CID 144845989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).