4-prop-2-enylhepta-1,3,6-trien-3-amine

C10H15N — CID 174731019

IUPAC4-prop-2-enylhepta-1,3,6-trien-3-amine
SMILESC=CCC(CC=C)=C(N)C=C
InChIInChI=1S/C10H15N/c1-4-7-9(8-5-2)10(11)6-3/h4-6H,1-3,7-8,11H2
InChIKeyCALKMUKPRBQWKZ-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.54
Rot. Bonds5

About 4-prop-2-enylhepta-1,3,6-trien-3-amine

4-prop-2-enylhepta-1,3,6-trien-3-amine (PubChem CID 174731019) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 4-prop-2-enylhepta-1,3,6-trien-3-amine.

Molecular Properties

Compound Name4-prop-2-enylhepta-1,3,6-trien-3-amine
PubChem CID174731019
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name4-prop-2-enylhepta-1,3,6-trien-3-amine
SMILESC=CCC(CC=C)=C(N)C=C
InChIInChI=1S/C10H15N/c1-4-7-9(8-5-2)10(11)6-3/h4-6H,1-3,7-8,11H2
InChIKeyCALKMUKPRBQWKZ-UHFFFAOYSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 87329046
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CID 4695497
azane;2-methylidenepent-4-enamide
CID 87195427
(E)-5-ethenyl-6-prop-2-enyldec-5-ene
CID 101214127
4-ethenylhexa-1,4-diene
CID 85441048
ethane;ethene;(2Z)-penta-2,4-diene-2,3-diamine
CID 142059909
N-(6-aminonona-1,5,8-trien-4-yl)prop-2-enamide
CID 173239757
(3Z)-4-bromohexa-1,3,5-trien-3-amine;ethane
CID 143722331
2-(1-aminoprop-2-enylidene)propanedinitrile
CID 18620400
4-aminonona-1,4,8-trien-5-ol
CID 173334614
(2Z)-3-amino-2-ethylpenta-2,4-diene-1,1,1-triol
CID 139404872

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylhepta-1,3,6-trien-3-amine?
The IUPAC name of 4-prop-2-enylhepta-1,3,6-trien-3-amine (CID 174731019) is 4-prop-2-enylhepta-1,3,6-trien-3-amine.
What is the SMILES notation for 4-prop-2-enylhepta-1,3,6-trien-3-amine?
The canonical SMILES for 4-prop-2-enylhepta-1,3,6-trien-3-amine is C=CCC(CC=C)=C(N)C=C.
What is the InChIKey of 4-prop-2-enylhepta-1,3,6-trien-3-amine?
The InChIKey is CALKMUKPRBQWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-4-7-9(8-5-2)10(11)6-3/h4-6H,1-3,7-8,11H2.
What are the key properties of 4-prop-2-enylhepta-1,3,6-trien-3-amine?
4-prop-2-enylhepta-1,3,6-trien-3-amine has a molecular weight of 149.24 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylhepta-1,3,6-trien-3-amine is sourced from PubChem (CID 174731019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).