1-N-[(Z)-3-methylidenepent-1-enyl]propane-1,2-diamine

C9H18N2 — CID 163600047

IUPAC1-N-[(Z)-3-methylidenepent-1-enyl]propane-1,2-diamine
SMILESC=C(/C=C\NCC(C)N)CC
InChIInChI=1S/C9H18N2/c1-4-8(2)5-6-11-7-9(3)10/h5-6,9,11H,2,4,7,10H2,1,3H3/b6-5-
InChIKeyGWUVZXUEHSQGIW-WAYWQWQTSA-N
MW154.26 g/mol
LogP1.40
Rot. Bonds5

About 1-N-[(Z)-3-methylidenepent-1-enyl]propane-1,2-diamine

1-N-[(Z)-3-methylidenepent-1-enyl]propane-1,2-diamine (PubChem CID 163600047) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-N-[(Z)-3-methylidenepent-1-enyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(Z)-3-methylidenepent-1-enyl]propane-1,2-diamine
PubChem CID163600047
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-N-[(Z)-3-methylidenepent-1-enyl]propane-1,2-diamine
SMILESC=C(/C=C\NCC(C)N)CC
InChIInChI=1S/C9H18N2/c1-4-8(2)5-6-11-7-9(3)10/h5-6,9,11H,2,4,7,10H2,1,3H3/b6-5-
InChIKeyGWUVZXUEHSQGIW-WAYWQWQTSA-N
XLogP1.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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
1-N-[(1Z)-buta-1,3-dienyl]propane-1,2-diamine
CID 167296665
(E)-3-methylidenepent-1-en-1-amine
CID 154554960
(1Z)-N-(2-methylbutyl)-3-methylidenepenta-1,4-dien-1-amine
CID 166854206
(Z)-2-fluoro-5-methylidenehept-3-ene
CID 142878223
(1Z,3Z)-1-N-(2-aminopropyl)penta-1,3-diene-1,2-diamine
CID 163979290
(1Z,3Z)-3,5-dimethyl-N-(2-methylpropyl)hexa-1,3,5-trien-1-amine
CID 166970711
butan-2-amine;tetrakis(2-methylbut-1-ene)
CID 158391457
2-bromo-5-methylidenehepta-1,3-diene
CID 123950056
(1E,3Z)-2-chloro-5-methylidenehepta-1,3-dien-1-amine
CID 90048186
(Z)-5-methylidenehept-3-en-2-one
CID 123321874
(3E)-3-ethylhexa-3,5-dien-2-amine
CID 149492466

Frequently Asked Questions

What is the IUPAC name of 1-N-[(Z)-3-methylidenepent-1-enyl]propane-1,2-diamine?
The IUPAC name of 1-N-[(Z)-3-methylidenepent-1-enyl]propane-1,2-diamine (CID 163600047) is 1-N-[(Z)-3-methylidenepent-1-enyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-[(Z)-3-methylidenepent-1-enyl]propane-1,2-diamine?
The canonical SMILES for 1-N-[(Z)-3-methylidenepent-1-enyl]propane-1,2-diamine is C=C(/C=C\NCC(C)N)CC.
What is the InChIKey of 1-N-[(Z)-3-methylidenepent-1-enyl]propane-1,2-diamine?
The InChIKey is GWUVZXUEHSQGIW-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-8(2)5-6-11-7-9(3)10/h5-6,9,11H,2,4,7,10H2,1,3H3/b6-5-.
What are the key properties of 1-N-[(Z)-3-methylidenepent-1-enyl]propane-1,2-diamine?
1-N-[(Z)-3-methylidenepent-1-enyl]propane-1,2-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(Z)-3-methylidenepent-1-enyl]propane-1,2-diamine is sourced from PubChem (CID 163600047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).