N-methyl-3-methylidenepent-4-en-1-amine

C7H13N — CID 122577615

IUPACN-methyl-3-methylidenepent-4-en-1-amine
SMILESC=CC(=C)CCNC
InChIInChI=1S/C7H13N/c1-4-7(2)5-6-8-3/h4,8H,1-2,5-6H2,3H3
InChIKeyWRJLJAINTJDAIG-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.34
Rot. Bonds4

About N-methyl-3-methylidenepent-4-en-1-amine

N-methyl-3-methylidenepent-4-en-1-amine (PubChem CID 122577615) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N-methyl-3-methylidenepent-4-en-1-amine.

Molecular Properties

Compound NameN-methyl-3-methylidenepent-4-en-1-amine
PubChem CID122577615
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN-methyl-3-methylidenepent-4-en-1-amine
SMILESC=CC(=C)CCNC
InChIInChI=1S/C7H13N/c1-4-7(2)5-6-8-3/h4,8H,1-2,5-6H2,3H3
InChIKeyWRJLJAINTJDAIG-UHFFFAOYSA-N
XLogP1.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylidenepent-4-en-1-amine?
The IUPAC name of N-methyl-3-methylidenepent-4-en-1-amine (CID 122577615) is N-methyl-3-methylidenepent-4-en-1-amine.
What is the SMILES notation for N-methyl-3-methylidenepent-4-en-1-amine?
The canonical SMILES for N-methyl-3-methylidenepent-4-en-1-amine is C=CC(=C)CCNC.
What is the InChIKey of N-methyl-3-methylidenepent-4-en-1-amine?
The InChIKey is WRJLJAINTJDAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-4-7(2)5-6-8-3/h4,8H,1-2,5-6H2,3H3.
What are the key properties of N-methyl-3-methylidenepent-4-en-1-amine?
N-methyl-3-methylidenepent-4-en-1-amine has a molecular weight of 111.19 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylidenepent-4-en-1-amine is sourced from PubChem (CID 122577615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).