1-N-(6-methyloctyl)-1-N'-[(Z)-pent-3-enyl]ethane-1,1-diamine

C16H34N2 — CID 146588706

IUPAC1-N-(6-methyloctyl)-1-N'-[(Z)-pent-3-enyl]ethane-1,1-diamine
SMILESC/C=C\CCNC(C)NCCCCCC(C)CC
InChIInChI=1S/C16H34N2/c1-5-7-10-13-17-16(4)18-14-11-8-9-12-15(3)6-2/h5,7,15-18H,6,8-14H2,1-4H3/b7-5-
InChIKeyCUMYWUFLJNGLQC-ALCCZGGFSA-N
MW254.46 g/mol
LogP4.08
Rot. Bonds12

About 1-N-(6-methyloctyl)-1-N'-[(Z)-pent-3-enyl]ethane-1,1-diamine

1-N-(6-methyloctyl)-1-N'-[(Z)-pent-3-enyl]ethane-1,1-diamine (PubChem CID 146588706) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-N-(6-methyloctyl)-1-N'-[(Z)-pent-3-enyl]ethane-1,1-diamine.

Molecular Properties

Compound Name1-N-(6-methyloctyl)-1-N'-[(Z)-pent-3-enyl]ethane-1,1-diamine
PubChem CID146588706
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-N-(6-methyloctyl)-1-N'-[(Z)-pent-3-enyl]ethane-1,1-diamine
SMILESC/C=C\CCNC(C)NCCCCCC(C)CC
InChIInChI=1S/C16H34N2/c1-5-7-10-13-17-16(4)18-14-11-8-9-12-15(3)6-2/h5,7,15-18H,6,8-14H2,1-4H3/b7-5-
InChIKeyCUMYWUFLJNGLQC-ALCCZGGFSA-N
XLogP4.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(6-methyloctyl)-1-N'-[(Z)-pent-3-enyl]ethane-1,1-diamine?
The IUPAC name of 1-N-(6-methyloctyl)-1-N'-[(Z)-pent-3-enyl]ethane-1,1-diamine (CID 146588706) is 1-N-(6-methyloctyl)-1-N'-[(Z)-pent-3-enyl]ethane-1,1-diamine.
What is the SMILES notation for 1-N-(6-methyloctyl)-1-N'-[(Z)-pent-3-enyl]ethane-1,1-diamine?
The canonical SMILES for 1-N-(6-methyloctyl)-1-N'-[(Z)-pent-3-enyl]ethane-1,1-diamine is C/C=C\CCNC(C)NCCCCCC(C)CC.
What is the InChIKey of 1-N-(6-methyloctyl)-1-N'-[(Z)-pent-3-enyl]ethane-1,1-diamine?
The InChIKey is CUMYWUFLJNGLQC-ALCCZGGFSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-7-10-13-17-16(4)18-14-11-8-9-12-15(3)6-2/h5,7,15-18H,6,8-14H2,1-4H3/b7-5-.
What are the key properties of 1-N-(6-methyloctyl)-1-N'-[(Z)-pent-3-enyl]ethane-1,1-diamine?
1-N-(6-methyloctyl)-1-N'-[(Z)-pent-3-enyl]ethane-1,1-diamine has a molecular weight of 254.46 g/mol, XLogP of 4.08, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-methyloctyl)-1-N'-[(Z)-pent-3-enyl]ethane-1,1-diamine is sourced from PubChem (CID 146588706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).