N'-[(Z)-4,8,8-trimethylundec-5-en-2-yl]propane-1,3-diamine

C17H36N2 — CID 134173217

IUPACN'-[(Z)-4,8,8-trimethylundec-5-en-2-yl]propane-1,3-diamine
SMILESCCCC(C)(C)C/C=C\C(C)CC(C)NCCCN
InChIInChI=1S/C17H36N2/c1-6-10-17(4,5)11-7-9-15(2)14-16(3)19-13-8-12-18/h7,9,15-16,19H,6,8,10-14,18H2,1-5H3/b9-7-
InChIKeyIEPVYPLSTICALU-CLFYSBASSA-N
MW268.49 g/mol
LogP4.11
Rot. Bonds11

About N'-[(Z)-4,8,8-trimethylundec-5-en-2-yl]propane-1,3-diamine

N'-[(Z)-4,8,8-trimethylundec-5-en-2-yl]propane-1,3-diamine (PubChem CID 134173217) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N'-[(Z)-4,8,8-trimethylundec-5-en-2-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(Z)-4,8,8-trimethylundec-5-en-2-yl]propane-1,3-diamine
PubChem CID134173217
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN'-[(Z)-4,8,8-trimethylundec-5-en-2-yl]propane-1,3-diamine
SMILESCCCC(C)(C)C/C=C\C(C)CC(C)NCCCN
InChIInChI=1S/C17H36N2/c1-6-10-17(4,5)11-7-9-15(2)14-16(3)19-13-8-12-18/h7,9,15-16,19H,6,8,10-14,18H2,1-5H3/b9-7-
InChIKeyIEPVYPLSTICALU-CLFYSBASSA-N
XLogP4.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.11
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 N'-[(Z)-4,8,8-trimethylundec-5-en-2-yl]propane-1,3-diamine?
The IUPAC name of N'-[(Z)-4,8,8-trimethylundec-5-en-2-yl]propane-1,3-diamine (CID 134173217) is N'-[(Z)-4,8,8-trimethylundec-5-en-2-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[(Z)-4,8,8-trimethylundec-5-en-2-yl]propane-1,3-diamine?
The canonical SMILES for N'-[(Z)-4,8,8-trimethylundec-5-en-2-yl]propane-1,3-diamine is CCCC(C)(C)C/C=C\C(C)CC(C)NCCCN.
What is the InChIKey of N'-[(Z)-4,8,8-trimethylundec-5-en-2-yl]propane-1,3-diamine?
The InChIKey is IEPVYPLSTICALU-CLFYSBASSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-10-17(4,5)11-7-9-15(2)14-16(3)19-13-8-12-18/h7,9,15-16,19H,6,8,10-14,18H2,1-5H3/b9-7-.
What are the key properties of N'-[(Z)-4,8,8-trimethylundec-5-en-2-yl]propane-1,3-diamine?
N'-[(Z)-4,8,8-trimethylundec-5-en-2-yl]propane-1,3-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.11, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-4,8,8-trimethylundec-5-en-2-yl]propane-1,3-diamine is sourced from PubChem (CID 134173217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).