(1Z,3Z)-1-N-(2-aminopropyl)penta-1,3-diene-1,2-diamine

C8H17N3 — CID 163979290

IUPAC(1Z,3Z)-1-N-(2-aminopropyl)penta-1,3-diene-1,2-diamine
SMILESC/C=C\C(N)=C\NCC(C)N
InChIInChI=1S/C8H17N3/c1-3-4-8(10)6-11-5-7(2)9/h3-4,6-7,11H,5,9-10H2,1-2H3/b4-3-,8-6-
InChIKeySWYLVBDZBRHQCF-XYMCEGRYSA-N
MW155.24 g/mol
LogP0.30
Rot. Bonds4

About (1Z,3Z)-1-N-(2-aminopropyl)penta-1,3-diene-1,2-diamine

(1Z,3Z)-1-N-(2-aminopropyl)penta-1,3-diene-1,2-diamine (PubChem CID 163979290) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is (1Z,3Z)-1-N-(2-aminopropyl)penta-1,3-diene-1,2-diamine.

Molecular Properties

Compound Name(1Z,3Z)-1-N-(2-aminopropyl)penta-1,3-diene-1,2-diamine
PubChem CID163979290
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name(1Z,3Z)-1-N-(2-aminopropyl)penta-1,3-diene-1,2-diamine
SMILESC/C=C\C(N)=C\NCC(C)N
InChIInChI=1S/C8H17N3/c1-3-4-8(10)6-11-5-7(2)9/h3-4,6-7,11H,5,9-10H2,1-2H3/b4-3-,8-6-
InChIKeySWYLVBDZBRHQCF-XYMCEGRYSA-N
XLogP0.30
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-N-[(Z)-2-[[(2R)-2-aminopropyl]amino]ethenyl]propane-1,2-diamine
CID 42627802
N-[(1E,3E)-2-aminopenta-1,3-dienyl]-N'-methylmethanimidamide
CID 130341577
1-N-[(Z)-3-methylidenepent-1-enyl]propane-1,2-diamine
CID 163600047
1-N-[(1Z)-buta-1,3-dienyl]propane-1,2-diamine
CID 167296665
(E)-2-fluoro-3-(2-methylpropylamino)prop-2-enamide
CID 88976023
(2Z,4E,6E)-octa-2,4,6-trien-4-amine
CID 89113450
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
(2S)-1-N-propan-2-ylpropane-1,2-diamine
CID 11480427
(2Z,4E)-7-methylocta-2,4,7-trien-4-amine
CID 89010551
(3Z)-1-(trifluoromethoxy)penta-1,3-dien-2-amine
CID 173489040
(2Z,4Z)-6-fluoro-4,5-dimethylhepta-2,4-diene
CID 164597534
1-aminoethanol;(E)-but-2-enoic acid
CID 87299473

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-N-(2-aminopropyl)penta-1,3-diene-1,2-diamine?
The IUPAC name of (1Z,3Z)-1-N-(2-aminopropyl)penta-1,3-diene-1,2-diamine (CID 163979290) is (1Z,3Z)-1-N-(2-aminopropyl)penta-1,3-diene-1,2-diamine.
What is the SMILES notation for (1Z,3Z)-1-N-(2-aminopropyl)penta-1,3-diene-1,2-diamine?
The canonical SMILES for (1Z,3Z)-1-N-(2-aminopropyl)penta-1,3-diene-1,2-diamine is C/C=C\C(N)=C\NCC(C)N.
What is the InChIKey of (1Z,3Z)-1-N-(2-aminopropyl)penta-1,3-diene-1,2-diamine?
The InChIKey is SWYLVBDZBRHQCF-XYMCEGRYSA-N. The full InChI is InChI=1S/C8H17N3/c1-3-4-8(10)6-11-5-7(2)9/h3-4,6-7,11H,5,9-10H2,1-2H3/b4-3-,8-6-.
What are the key properties of (1Z,3Z)-1-N-(2-aminopropyl)penta-1,3-diene-1,2-diamine?
(1Z,3Z)-1-N-(2-aminopropyl)penta-1,3-diene-1,2-diamine has a molecular weight of 155.24 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-N-(2-aminopropyl)penta-1,3-diene-1,2-diamine is sourced from PubChem (CID 163979290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).