5-[2-(methylaminomethyl)prop-2-enyl]nonane-1,9-diamine

C14H31N3 — CID 90886795

IUPAC5-[2-(methylaminomethyl)prop-2-enyl]nonane-1,9-diamine
SMILESC=C(CNC)CC(CCCCN)CCCCN
InChIInChI=1S/C14H31N3/c1-13(12-17-2)11-14(7-3-5-9-15)8-4-6-10-16/h14,17H,1,3-12,15-16H2,2H3
InChIKeyXQTFZVWAZKKPGW-UHFFFAOYSA-N
MW241.42 g/mol
LogP2.03
Rot. Bonds12

About 5-[2-(methylaminomethyl)prop-2-enyl]nonane-1,9-diamine

5-[2-(methylaminomethyl)prop-2-enyl]nonane-1,9-diamine (PubChem CID 90886795) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 5-[2-(methylaminomethyl)prop-2-enyl]nonane-1,9-diamine.

Molecular Properties

Compound Name5-[2-(methylaminomethyl)prop-2-enyl]nonane-1,9-diamine
PubChem CID90886795
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name5-[2-(methylaminomethyl)prop-2-enyl]nonane-1,9-diamine
SMILESC=C(CNC)CC(CCCCN)CCCCN
InChIInChI=1S/C14H31N3/c1-13(12-17-2)11-14(7-3-5-9-15)8-4-6-10-16/h14,17H,1,3-12,15-16H2,2H3
InChIKeyXQTFZVWAZKKPGW-UHFFFAOYSA-N
XLogP2.03
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylaminomethyl)prop-2-enyl]nonane-1,9-diamine?
The IUPAC name of 5-[2-(methylaminomethyl)prop-2-enyl]nonane-1,9-diamine (CID 90886795) is 5-[2-(methylaminomethyl)prop-2-enyl]nonane-1,9-diamine.
What is the SMILES notation for 5-[2-(methylaminomethyl)prop-2-enyl]nonane-1,9-diamine?
The canonical SMILES for 5-[2-(methylaminomethyl)prop-2-enyl]nonane-1,9-diamine is C=C(CNC)CC(CCCCN)CCCCN.
What is the InChIKey of 5-[2-(methylaminomethyl)prop-2-enyl]nonane-1,9-diamine?
The InChIKey is XQTFZVWAZKKPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-13(12-17-2)11-14(7-3-5-9-15)8-4-6-10-16/h14,17H,1,3-12,15-16H2,2H3.
What are the key properties of 5-[2-(methylaminomethyl)prop-2-enyl]nonane-1,9-diamine?
5-[2-(methylaminomethyl)prop-2-enyl]nonane-1,9-diamine has a molecular weight of 241.42 g/mol, XLogP of 2.03, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylaminomethyl)prop-2-enyl]nonane-1,9-diamine is sourced from PubChem (CID 90886795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).