4-[3-(methylamino)propoxy]-2-methylidenepent-3-en-1-amine

C10H20N2O — CID 123647646

IUPAC4-[3-(methylamino)propoxy]-2-methylidenepent-3-en-1-amine
SMILESC=C(C=C(C)OCCCNC)CN
InChIInChI=1S/C10H20N2O/c1-9(8-11)7-10(2)13-6-4-5-12-3/h7,12H,1,4-6,8,11H2,2-3H3
InChIKeyZSQDFVIBXUTDRQ-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.03
Rot. Bonds7

About 4-[3-(methylamino)propoxy]-2-methylidenepent-3-en-1-amine

4-[3-(methylamino)propoxy]-2-methylidenepent-3-en-1-amine (PubChem CID 123647646) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-[3-(methylamino)propoxy]-2-methylidenepent-3-en-1-amine.

Molecular Properties

Compound Name4-[3-(methylamino)propoxy]-2-methylidenepent-3-en-1-amine
PubChem CID123647646
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-[3-(methylamino)propoxy]-2-methylidenepent-3-en-1-amine
SMILESC=C(C=C(C)OCCCNC)CN
InChIInChI=1S/C10H20N2O/c1-9(8-11)7-10(2)13-6-4-5-12-3/h7,12H,1,4-6,8,11H2,2-3H3
InChIKeyZSQDFVIBXUTDRQ-UHFFFAOYSA-N
XLogP1.03
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)propoxy]-2-methylidenepent-3-en-1-amine?
The IUPAC name of 4-[3-(methylamino)propoxy]-2-methylidenepent-3-en-1-amine (CID 123647646) is 4-[3-(methylamino)propoxy]-2-methylidenepent-3-en-1-amine.
What is the SMILES notation for 4-[3-(methylamino)propoxy]-2-methylidenepent-3-en-1-amine?
The canonical SMILES for 4-[3-(methylamino)propoxy]-2-methylidenepent-3-en-1-amine is C=C(C=C(C)OCCCNC)CN.
What is the InChIKey of 4-[3-(methylamino)propoxy]-2-methylidenepent-3-en-1-amine?
The InChIKey is ZSQDFVIBXUTDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(8-11)7-10(2)13-6-4-5-12-3/h7,12H,1,4-6,8,11H2,2-3H3.
What are the key properties of 4-[3-(methylamino)propoxy]-2-methylidenepent-3-en-1-amine?
4-[3-(methylamino)propoxy]-2-methylidenepent-3-en-1-amine has a molecular weight of 184.28 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)propoxy]-2-methylidenepent-3-en-1-amine is sourced from PubChem (CID 123647646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).