(3E,5Z)-N-[(2E)-penta-2,4-dien-2-yl]hepta-1,3,5-trien-3-amine

C12H17N — CID 143745515

IUPAC(3E,5Z)-N-[(2E)-penta-2,4-dien-2-yl]hepta-1,3,5-trien-3-amine
SMILESC=C/C=C(\C)N/C(C=C)=C/C=C\C
InChIInChI=1S/C12H17N/c1-5-8-10-12(7-3)13-11(4)9-6-2/h5-10,13H,2-3H2,1,4H3/b8-5-,11-9+,12-10+
InChIKeyBGWODBMLYSKRTA-AMVUOHPKSA-N
MW175.27 g/mol
LogP3.31
Rot. Bonds5

About (3E,5Z)-N-[(2E)-penta-2,4-dien-2-yl]hepta-1,3,5-trien-3-amine

(3E,5Z)-N-[(2E)-penta-2,4-dien-2-yl]hepta-1,3,5-trien-3-amine (PubChem CID 143745515) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (3E,5Z)-N-[(2E)-penta-2,4-dien-2-yl]hepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5Z)-N-[(2E)-penta-2,4-dien-2-yl]hepta-1,3,5-trien-3-amine
PubChem CID143745515
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(3E,5Z)-N-[(2E)-penta-2,4-dien-2-yl]hepta-1,3,5-trien-3-amine
SMILESC=C/C=C(\C)N/C(C=C)=C/C=C\C
InChIInChI=1S/C12H17N/c1-5-8-10-12(7-3)13-11(4)9-6-2/h5-10,13H,2-3H2,1,4H3/b8-5-,11-9+,12-10+
InChIKeyBGWODBMLYSKRTA-AMVUOHPKSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.31
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

N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide
CID 130312596
(3E)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylhexa-1,4-dien-2-amine
CID 143052438
(3E,5Z)-N-but-3-en-2-ylhepta-1,3,5-trien-3-amine
CID 126490180
(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane
CID 142141594
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazole-5-carboxamide
CID 142262030
ethane;(5E)-3-ethenylhepta-1,3,5-triene
CID 143978470
(2Z,4E)-N-methylhexa-2,4-dien-2-amine
CID 142249043
(2Z,4Z)-N-methylhexa-2,4-dien-2-amine
CID 89105834
methane;(3E,5Z,7Z)-3-methylnona-1,3,5,7-tetraene
CID 144724119
(4E,6Z)-4-ethenyl-2-methylocta-1,4,6-trien-3-amine
CID 145148442
2-methylbut-2-ene;(3E)-penta-1,3-diene
CID 6441481
(3E,5Z,7Z)-4-ethenylnona-1,3,5,7-tetraene
CID 155698578

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-[(2E)-penta-2,4-dien-2-yl]hepta-1,3,5-trien-3-amine?
The IUPAC name of (3E,5Z)-N-[(2E)-penta-2,4-dien-2-yl]hepta-1,3,5-trien-3-amine (CID 143745515) is (3E,5Z)-N-[(2E)-penta-2,4-dien-2-yl]hepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5Z)-N-[(2E)-penta-2,4-dien-2-yl]hepta-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5Z)-N-[(2E)-penta-2,4-dien-2-yl]hepta-1,3,5-trien-3-amine is C=C/C=C(\C)N/C(C=C)=C/C=C\C.
What is the InChIKey of (3E,5Z)-N-[(2E)-penta-2,4-dien-2-yl]hepta-1,3,5-trien-3-amine?
The InChIKey is BGWODBMLYSKRTA-AMVUOHPKSA-N. The full InChI is InChI=1S/C12H17N/c1-5-8-10-12(7-3)13-11(4)9-6-2/h5-10,13H,2-3H2,1,4H3/b8-5-,11-9+,12-10+.
What are the key properties of (3E,5Z)-N-[(2E)-penta-2,4-dien-2-yl]hepta-1,3,5-trien-3-amine?
(3E,5Z)-N-[(2E)-penta-2,4-dien-2-yl]hepta-1,3,5-trien-3-amine has a molecular weight of 175.27 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-[(2E)-penta-2,4-dien-2-yl]hepta-1,3,5-trien-3-amine is sourced from PubChem (CID 143745515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).