(1Z,3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-1-amine

C10H17N — CID 126626487

IUPAC(1Z,3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-1-amine
SMILESC/C=C\C=C(/C=C\N)C(C)C
InChIInChI=1S/C10H17N/c1-4-5-6-10(7-8-11)9(2)3/h4-9H,11H2,1-3H3/b5-4-,8-7-,10-6+
InChIKeyIYOHGLLRLOEURZ-VGEZGYKQSA-N
MW151.25 g/mol
LogP2.62
Rot. Bonds3

About (1Z,3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-1-amine

(1Z,3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-1-amine (PubChem CID 126626487) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (1Z,3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-1-amine
PubChem CID126626487
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(1Z,3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-1-amine
SMILESC/C=C\C=C(/C=C\N)C(C)C
InChIInChI=1S/C10H17N/c1-4-5-6-10(7-8-11)9(2)3/h4-9H,11H2,1-3H3/b5-4-,8-7-,10-6+
InChIKeyIYOHGLLRLOEURZ-VGEZGYKQSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.62
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

(1Z,3Z)-6-methyl-3-propan-2-ylhepta-1,3,5-trien-1-amine
CID 142529959
ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene
CID 142182203
(1Z,3E,5Z)-hepta-1,3,5-triene-1,3-diamine
CID 134355562
O-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]hydroxylamine
CID 146533192
(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-1-amine
CID 88880590
ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol
CID 143979742
(2Z,4E,6E)-octa-2,4,6-trien-4-amine
CID 89113450
(4E,6Z)-4-ethenyl-2-methylocta-1,4,6-trien-3-amine
CID 145148442
2-methyl-N'-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]propanimidamide
CID 167223912
ethane;(6Z,8Z)-5-methyl-6-[(Z)-prop-1-enyl]deca-6,8-dienamide
CID 143222339
(2E,4Z)-2-propan-2-ylhexa-2,4-dienenitrile
CID 147215892
(2Z,4E)-5-bromo-7-methyl-6-methylideneocta-2,4-diene
CID 172586692

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-1-amine (CID 126626487) is (1Z,3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-1-amine is C/C=C\C=C(/C=C\N)C(C)C.
What is the InChIKey of (1Z,3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-1-amine?
The InChIKey is IYOHGLLRLOEURZ-VGEZGYKQSA-N. The full InChI is InChI=1S/C10H17N/c1-4-5-6-10(7-8-11)9(2)3/h4-9H,11H2,1-3H3/b5-4-,8-7-,10-6+.
What are the key properties of (1Z,3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-1-amine?
(1Z,3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-1-amine is sourced from PubChem (CID 126626487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).