2-methylhexadeca-4,8-diene-1,11-diamine

C17H34N2 — CID 173410447

IUPAC2-methylhexadeca-4,8-diene-1,11-diamine
SMILESCCCCCC(N)CC=CCCC=CCC(C)CN
InChIInChI=1S/C17H34N2/c1-3-4-9-13-17(19)14-11-8-6-5-7-10-12-16(2)15-18/h7-8,10-11,16-17H,3-6,9,12-15,18-19H2,1-2H3
InChIKeyUWCRXEYVOQHPCB-UHFFFAOYSA-N
MW266.47 g/mol
LogP4.16
Rot. Bonds12

About 2-methylhexadeca-4,8-diene-1,11-diamine

2-methylhexadeca-4,8-diene-1,11-diamine (PubChem CID 173410447) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-methylhexadeca-4,8-diene-1,11-diamine.

Molecular Properties

Compound Name2-methylhexadeca-4,8-diene-1,11-diamine
PubChem CID173410447
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-methylhexadeca-4,8-diene-1,11-diamine
SMILESCCCCCC(N)CC=CCCC=CCC(C)CN
InChIInChI=1S/C17H34N2/c1-3-4-9-13-17(19)14-11-8-6-5-7-10-12-16(2)15-18/h7-8,10-11,16-17H,3-6,9,12-15,18-19H2,1-2H3
InChIKeyUWCRXEYVOQHPCB-UHFFFAOYSA-N
XLogP4.16
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-methylhexadeca-4,8-diene-1,11-diamine?
The IUPAC name of 2-methylhexadeca-4,8-diene-1,11-diamine (CID 173410447) is 2-methylhexadeca-4,8-diene-1,11-diamine.
What is the SMILES notation for 2-methylhexadeca-4,8-diene-1,11-diamine?
The canonical SMILES for 2-methylhexadeca-4,8-diene-1,11-diamine is CCCCCC(N)CC=CCCC=CCC(C)CN.
What is the InChIKey of 2-methylhexadeca-4,8-diene-1,11-diamine?
The InChIKey is UWCRXEYVOQHPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-4-9-13-17(19)14-11-8-6-5-7-10-12-16(2)15-18/h7-8,10-11,16-17H,3-6,9,12-15,18-19H2,1-2H3.
What are the key properties of 2-methylhexadeca-4,8-diene-1,11-diamine?
2-methylhexadeca-4,8-diene-1,11-diamine has a molecular weight of 266.47 g/mol, XLogP of 4.16, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexadeca-4,8-diene-1,11-diamine is sourced from PubChem (CID 173410447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).