N-methylpenta-1,4-dien-2-amine

C6H11N — CID 144973038

IUPACN-methylpenta-1,4-dien-2-amine
SMILESC=CCC(=C)NC
InChIInChI=1S/C6H11N/c1-4-5-6(2)7-3/h4,7H,1-2,5H2,3H3
InChIKeyUSGMMLSLDQDDLG-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.30
Rot. Bonds3

About N-methylpenta-1,4-dien-2-amine

N-methylpenta-1,4-dien-2-amine (PubChem CID 144973038) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is N-methylpenta-1,4-dien-2-amine.

Molecular Properties

Compound NameN-methylpenta-1,4-dien-2-amine
PubChem CID144973038
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC NameN-methylpenta-1,4-dien-2-amine
SMILESC=CCC(=C)NC
InChIInChI=1S/C6H11N/c1-4-5-6(2)7-3/h4,7H,1-2,5H2,3H3
InChIKeyUSGMMLSLDQDDLG-UHFFFAOYSA-N
XLogP1.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methylbut-3-enamide
CID 13113546
1-N-ethenyl-2-N-methylprop-2-ene-1,2-diamine
CID 170084876
2-methoxypenta-1,4-diene
CID 12625760
N,5-dimethylhepta-1,6-dien-2-amine
CID 155584945
4-methoxy-N-methylhexa-1,5-dien-2-amine
CID 88966208
N-methyl-3-(methylideneamino)prop-1-en-2-amine
CID 163554152
N,3,3-trimethylhexa-1,5-dien-2-amine
CID 129082840
(5Z)-4-methylidenehepta-1,5-diene
CID 143920725
4-methylidenehepta-1,5-diene
CID 76553064
prop-2-en-1-amine;1-N,1-N',1-N'-trimethylethene-1,1-diamine
CID 143837437
nona-1,8-diene-4,6-dione
CID 88861984
(213C)pent-4-en-2-one
CID 173180315

Frequently Asked Questions

What is the IUPAC name of N-methylpenta-1,4-dien-2-amine?
The IUPAC name of N-methylpenta-1,4-dien-2-amine (CID 144973038) is N-methylpenta-1,4-dien-2-amine.
What is the SMILES notation for N-methylpenta-1,4-dien-2-amine?
The canonical SMILES for N-methylpenta-1,4-dien-2-amine is C=CCC(=C)NC.
What is the InChIKey of N-methylpenta-1,4-dien-2-amine?
The InChIKey is USGMMLSLDQDDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-4-5-6(2)7-3/h4,7H,1-2,5H2,3H3.
What are the key properties of N-methylpenta-1,4-dien-2-amine?
N-methylpenta-1,4-dien-2-amine has a molecular weight of 97.16 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpenta-1,4-dien-2-amine is sourced from PubChem (CID 144973038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).