3-methylpenta-2,4-dien-2-amine

C6H11N — CID 141358440

IUPAC3-methylpenta-2,4-dien-2-amine
SMILESC=CC(C)=C(C)N
InChIInChI=1S/C6H11N/c1-4-5(2)6(3)7/h4H,1,7H2,2-3H3
InChIKeyMUOITGCPXLLKIC-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.42
Rot. Bonds1

About 3-methylpenta-2,4-dien-2-amine

3-methylpenta-2,4-dien-2-amine (PubChem CID 141358440) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 3-methylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name3-methylpenta-2,4-dien-2-amine
PubChem CID141358440
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name3-methylpenta-2,4-dien-2-amine
SMILESC=CC(C)=C(C)N
InChIInChI=1S/C6H11N/c1-4-5(2)6(3)7/h4H,1,7H2,2-3H3
InChIKeyMUOITGCPXLLKIC-UHFFFAOYSA-N
XLogP1.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.42
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

3,4-dimethylpenta-1,3-diene
CID 6713443
(2E,4E)-5-chloro-3-methylhepta-2,4,6-trien-2-amine
CID 134173997
methanamine;(1E)-1-N',1-N',2-trimethylbuta-1,3-diene-1,1-diamine
CID 143791627
ethane;ethene;(2Z)-penta-2,4-diene-2,3-diamine
CID 142059909
O-[(2Z)-3-methylpenta-2,4-dien-2-yl]hydroxylamine
CID 89307722
ethane;3-ethenyl-4-methylhexa-1,3,5-triene
CID 162531355
acetamide;prop-2-enamide
CID 158566181
(3E,5Z)-3-methylocta-1,3,5-trien-4-amine
CID 88993026
(2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine
CID 142018052
3-chloro-4-methylhexa-1,3,5-triene
CID 123411811
1,1-diethoxy-2-methylbuta-1,3-diene
CID 19609192
(E)-3-methyl-4-methyliminobut-2-en-2-amine
CID 167081339

Frequently Asked Questions

What is the IUPAC name of 3-methylpenta-2,4-dien-2-amine?
The IUPAC name of 3-methylpenta-2,4-dien-2-amine (CID 141358440) is 3-methylpenta-2,4-dien-2-amine.
What is the SMILES notation for 3-methylpenta-2,4-dien-2-amine?
The canonical SMILES for 3-methylpenta-2,4-dien-2-amine is C=CC(C)=C(C)N.
What is the InChIKey of 3-methylpenta-2,4-dien-2-amine?
The InChIKey is MUOITGCPXLLKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-4-5(2)6(3)7/h4H,1,7H2,2-3H3.
What are the key properties of 3-methylpenta-2,4-dien-2-amine?
3-methylpenta-2,4-dien-2-amine has a molecular weight of 97.16 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpenta-2,4-dien-2-amine is sourced from PubChem (CID 141358440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).