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

C7H11N — CID 156648407

IUPACN-methyl-3-methylidenepent-4-yn-1-amine
SMILESC#CC(=C)CCNC
InChIInChI=1S/C7H11N/c1-4-7(2)5-6-8-3/h1,8H,2,5-6H2,3H3
InChIKeyFQXWFTCHJSWLBA-UHFFFAOYSA-N
MW109.17 g/mol
LogP0.79
Rot. Bonds3

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

N-methyl-3-methylidenepent-4-yn-1-amine (PubChem CID 156648407) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-methyl-3-methylidenepent-4-yn-1-amine.

Molecular Properties

Compound NameN-methyl-3-methylidenepent-4-yn-1-amine
PubChem CID156648407
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-methyl-3-methylidenepent-4-yn-1-amine
SMILESC#CC(=C)CCNC
InChIInChI=1S/C7H11N/c1-4-7(2)5-6-8-3/h1,8H,2,5-6H2,3H3
InChIKeyFQXWFTCHJSWLBA-UHFFFAOYSA-N
XLogP0.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylidenepent-4-yn-1-amine?
The IUPAC name of N-methyl-3-methylidenepent-4-yn-1-amine (CID 156648407) is N-methyl-3-methylidenepent-4-yn-1-amine.
What is the SMILES notation for N-methyl-3-methylidenepent-4-yn-1-amine?
The canonical SMILES for N-methyl-3-methylidenepent-4-yn-1-amine is C#CC(=C)CCNC.
What is the InChIKey of N-methyl-3-methylidenepent-4-yn-1-amine?
The InChIKey is FQXWFTCHJSWLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-4-7(2)5-6-8-3/h1,8H,2,5-6H2,3H3.
What are the key properties of N-methyl-3-methylidenepent-4-yn-1-amine?
N-methyl-3-methylidenepent-4-yn-1-amine has a molecular weight of 109.17 g/mol, XLogP of 0.79, 3 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-yn-1-amine is sourced from PubChem (CID 156648407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).