(1Z,5Z)-hepta-1,5-dien-1-amine

C7H13N — CID 152891623

IUPAC(1Z,5Z)-hepta-1,5-dien-1-amine
SMILESC/C=C\CC/C=C\N
InChIInChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h2-3,6-7H,4-5,8H2,1H3/b3-2-,7-6-
InChIKeyUDOFRORLJMDXKO-QPHZJVINSA-N
MW111.19 g/mol
LogP1.82
Rot. Bonds3

About (1Z,5Z)-hepta-1,5-dien-1-amine

(1Z,5Z)-hepta-1,5-dien-1-amine (PubChem CID 152891623) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (1Z,5Z)-hepta-1,5-dien-1-amine.

Molecular Properties

Compound Name(1Z,5Z)-hepta-1,5-dien-1-amine
PubChem CID152891623
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(1Z,5Z)-hepta-1,5-dien-1-amine
SMILESC/C=C\CC/C=C\N
InChIInChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h2-3,6-7H,4-5,8H2,1H3/b3-2-,7-6-
InChIKeyUDOFRORLJMDXKO-QPHZJVINSA-N
XLogP1.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene
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(2E,6E,10E,14E,18E,22E)-tetracosa-2,6,10,14,18,22-hexaene
CID 57417215
(6Z)-deca-2,6-diene
CID 159397578
(2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol
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O-[(E)-pent-3-enyl]hydroxylamine
CID 87591306
(Z)-4-methylphosphanylbut-1-en-1-amine
CID 130450384
ethane;(5Z)-hepta-1,5-diene;hydrochloride
CID 143911102
5-methylhex-1-en-1-amine
CID 87108942
octa-1,5,7-trien-1-amine
CID 76706648
hept-1-en-1-amine
CID 73447107
(Z)-hept-5-en-1-amine
CID 55299761

Frequently Asked Questions

What is the IUPAC name of (1Z,5Z)-hepta-1,5-dien-1-amine?
The IUPAC name of (1Z,5Z)-hepta-1,5-dien-1-amine (CID 152891623) is (1Z,5Z)-hepta-1,5-dien-1-amine.
What is the SMILES notation for (1Z,5Z)-hepta-1,5-dien-1-amine?
The canonical SMILES for (1Z,5Z)-hepta-1,5-dien-1-amine is C/C=C\CC/C=C\N.
What is the InChIKey of (1Z,5Z)-hepta-1,5-dien-1-amine?
The InChIKey is UDOFRORLJMDXKO-QPHZJVINSA-N. The full InChI is InChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h2-3,6-7H,4-5,8H2,1H3/b3-2-,7-6-.
What are the key properties of (1Z,5Z)-hepta-1,5-dien-1-amine?
(1Z,5Z)-hepta-1,5-dien-1-amine has a molecular weight of 111.19 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5Z)-hepta-1,5-dien-1-amine is sourced from PubChem (CID 152891623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).