(3E,5Z)-N-but-3-en-2-ylhepta-1,3,5-trien-3-amine

C11H17N — CID 126490180

IUPAC(3E,5Z)-N-but-3-en-2-ylhepta-1,3,5-trien-3-amine
SMILESC=C/C(=C\C=C/C)NC(C)C=C
InChIInChI=1S/C11H17N/c1-5-8-9-11(7-3)12-10(4)6-2/h5-10,12H,2-3H2,1,4H3/b8-5-,11-9+
InChIKeyIWCMYILWPYJKLI-TWGJSUAUSA-N
MW163.26 g/mol
LogP2.80
Rot. Bonds5

About (3E,5Z)-N-but-3-en-2-ylhepta-1,3,5-trien-3-amine

(3E,5Z)-N-but-3-en-2-ylhepta-1,3,5-trien-3-amine (PubChem CID 126490180) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (3E,5Z)-N-but-3-en-2-ylhepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5Z)-N-but-3-en-2-ylhepta-1,3,5-trien-3-amine
PubChem CID126490180
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(3E,5Z)-N-but-3-en-2-ylhepta-1,3,5-trien-3-amine
SMILESC=C/C(=C\C=C/C)NC(C)C=C
InChIInChI=1S/C11H17N/c1-5-8-9-11(7-3)12-10(4)6-2/h5-10,12H,2-3H2,1,4H3/b8-5-,11-9+
InChIKeyIWCMYILWPYJKLI-TWGJSUAUSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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,5Z)-N-[(2E)-penta-2,4-dien-2-yl]hepta-1,3,5-trien-3-amine
CID 143745515
(3E)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylhexa-1,4-dien-2-amine
CID 143052438
ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene
CID 142182203
ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol
CID 143979742
(3Z)-N-but-3-en-2-yl-2-methylhexa-3,5-dien-3-amine
CID 155044261
(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane
CID 142141594
ethane;(5E)-3-ethenylhepta-1,3,5-triene
CID 143978470
(4E,6Z)-4-ethenyl-2-methylocta-1,4,6-trien-3-amine
CID 145148442
ethane;(3E,5Z)-3-propan-2-yloxyhepta-1,3,5-triene
CID 143474027
N-but-3-en-2-ylhydroxylamine
CID 18467379
(2S)-N-but-3-en-2-yl-2-hydroxypropanamide
CID 131182785

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-but-3-en-2-ylhepta-1,3,5-trien-3-amine?
The IUPAC name of (3E,5Z)-N-but-3-en-2-ylhepta-1,3,5-trien-3-amine (CID 126490180) is (3E,5Z)-N-but-3-en-2-ylhepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5Z)-N-but-3-en-2-ylhepta-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5Z)-N-but-3-en-2-ylhepta-1,3,5-trien-3-amine is C=C/C(=C\C=C/C)NC(C)C=C.
What is the InChIKey of (3E,5Z)-N-but-3-en-2-ylhepta-1,3,5-trien-3-amine?
The InChIKey is IWCMYILWPYJKLI-TWGJSUAUSA-N. The full InChI is InChI=1S/C11H17N/c1-5-8-9-11(7-3)12-10(4)6-2/h5-10,12H,2-3H2,1,4H3/b8-5-,11-9+.
What are the key properties of (3E,5Z)-N-but-3-en-2-ylhepta-1,3,5-trien-3-amine?
(3E,5Z)-N-but-3-en-2-ylhepta-1,3,5-trien-3-amine has a molecular weight of 163.26 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-but-3-en-2-ylhepta-1,3,5-trien-3-amine is sourced from PubChem (CID 126490180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).