3-methylbuta-1,3-diene-1,1,2-triamine

C5H11N3 — CID 145422855

IUPAC3-methylbuta-1,3-diene-1,1,2-triamine
SMILESC=C(C)C(N)=C(N)N
InChIInChI=1S/C5H11N3/c1-3(2)4(6)5(7)8/h1,6-8H2,2H3
InChIKeyVWEPNYFZURSWLH-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.39
Rot. Bonds1

About 3-methylbuta-1,3-diene-1,1,2-triamine

3-methylbuta-1,3-diene-1,1,2-triamine (PubChem CID 145422855) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-methylbuta-1,3-diene-1,1,2-triamine.

Molecular Properties

Compound Name3-methylbuta-1,3-diene-1,1,2-triamine
PubChem CID145422855
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name3-methylbuta-1,3-diene-1,1,2-triamine
SMILESC=C(C)C(N)=C(N)N
InChIInChI=1S/C5H11N3/c1-3(2)4(6)5(7)8/h1,6-8H2,2H3
InChIKeyVWEPNYFZURSWLH-UHFFFAOYSA-N
XLogP-0.39
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.39
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

(3Z)-2,4-dimethylhexa-1,3-dien-3-amine
CID 167041122
prop-1-en-2-amine;yttrium
CID 158882655
2-methylprop-2-enamide;hydrate
CID 88749193
2,3-dimethylbuta-1,3-diene;ethane
CID 156868132
2-methylpropane;prop-1-en-2-amine
CID 174893746
(2Z)-3,4-diaminopenta-2,4-diene-2-thiol
CID 147166745
2-fluoro-4-methylpenta-1,3-dien-3-amine
CID 162681971
N-methylmethanamine;2-methylprop-2-enamide
CID 87110078
bis(carbamodithioic acid);2-methylprop-1-ene
CID 88714741
(2E,3Z)-3-amino-2-ethylidene-4-iodo-5-methylhexa-3,5-dienoic acid
CID 88853628
2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one
CID 159159357
ethenol;2-methylprop-2-enamide
CID 87880771

Frequently Asked Questions

What is the IUPAC name of 3-methylbuta-1,3-diene-1,1,2-triamine?
The IUPAC name of 3-methylbuta-1,3-diene-1,1,2-triamine (CID 145422855) is 3-methylbuta-1,3-diene-1,1,2-triamine.
What is the SMILES notation for 3-methylbuta-1,3-diene-1,1,2-triamine?
The canonical SMILES for 3-methylbuta-1,3-diene-1,1,2-triamine is C=C(C)C(N)=C(N)N.
What is the InChIKey of 3-methylbuta-1,3-diene-1,1,2-triamine?
The InChIKey is VWEPNYFZURSWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-3(2)4(6)5(7)8/h1,6-8H2,2H3.
What are the key properties of 3-methylbuta-1,3-diene-1,1,2-triamine?
3-methylbuta-1,3-diene-1,1,2-triamine has a molecular weight of 113.16 g/mol, XLogP of -0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbuta-1,3-diene-1,1,2-triamine is sourced from PubChem (CID 145422855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).