(3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine

C10H15N — CID 155176361

IUPAC(3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(\C=C/C)C(=C)C
InChIInChI=1S/C10H15N/c1-5-7-9(8(3)4)10(11)6-2/h5-7H,2-3,11H2,1,4H3/b7-5-,10-9-
InChIKeyMHDAIJXJDNNJJG-XGOROQTFSA-N
MW149.24 g/mol
LogP2.54
Rot. Bonds3

About (3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine

(3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine (PubChem CID 155176361) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine
PubChem CID155176361
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(\C=C/C)C(=C)C
InChIInChI=1S/C10H15N/c1-5-7-9(8(3)4)10(11)6-2/h5-7H,2-3,11H2,1,4H3/b7-5-,10-9-
InChIKeyMHDAIJXJDNNJJG-XGOROQTFSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine?
The IUPAC name of (3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine (CID 155176361) is (3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine?
The canonical SMILES for (3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine is C=C/C(N)=C(\C=C/C)C(=C)C.
What is the InChIKey of (3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine?
The InChIKey is MHDAIJXJDNNJJG-XGOROQTFSA-N. The full InChI is InChI=1S/C10H15N/c1-5-7-9(8(3)4)10(11)6-2/h5-7H,2-3,11H2,1,4H3/b7-5-,10-9-.
What are the key properties of (3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine?
(3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine has a molecular weight of 149.24 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine is sourced from PubChem (CID 155176361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).