N-tridecylprop-1-ene-1,3-diamine

C16H34N2 — CID 173118910

IUPACN-tridecylprop-1-ene-1,3-diamine
SMILESCCCCCCCCCCCCCNC=CCN
InChIInChI=1S/C16H34N2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17/h13,16,18H,2-12,14-15,17H2,1H3
InChIKeyRJJHXUNTYHKFOP-UHFFFAOYSA-N
MW254.46 g/mol
LogP4.36
Rot. Bonds14

About N-tridecylprop-1-ene-1,3-diamine

N-tridecylprop-1-ene-1,3-diamine (PubChem CID 173118910) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-tridecylprop-1-ene-1,3-diamine.

Molecular Properties

Compound NameN-tridecylprop-1-ene-1,3-diamine
PubChem CID173118910
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-tridecylprop-1-ene-1,3-diamine
SMILESCCCCCCCCCCCCCNC=CCN
InChIInChI=1S/C16H34N2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17/h13,16,18H,2-12,14-15,17H2,1H3
InChIKeyRJJHXUNTYHKFOP-UHFFFAOYSA-N
XLogP4.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tetradecylprop-1-ene-1,3-diamine
CID 173093162
N'-oct-1-enylhexane-1,6-diamine
CID 139771497
N'-[(E)-tricos-1-enyl]ethane-1,2-diamine
CID 22930928
N'-[(E)-hexadec-1-enyl]ethane-1,2-diamine
CID 22930941
(Z)-N-butylhex-1-en-1-amine
CID 146262840
N-[(E)-prop-1-enyl]dodecan-1-amine
CID 88674859
(E)-N'-[(Z)-octadec-9-enyl]ethene-1,2-diamine
CID 87608116
N-but-1-enyl-N'-dec-1-enylethane-1,2-diamine
CID 88826631
N'-[3-(octadec-1-enylamino)propyl]propane-1,3-diamine
CID 173430140
N'-[2-[2-[2-(dodec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 139695762
N'-[2-[2-[2-(tetradec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 139695795
acetic acid;N'-octadec-1-enylpropane-1,3-diamine
CID 162315882

Frequently Asked Questions

What is the IUPAC name of N-tridecylprop-1-ene-1,3-diamine?
The IUPAC name of N-tridecylprop-1-ene-1,3-diamine (CID 173118910) is N-tridecylprop-1-ene-1,3-diamine.
What is the SMILES notation for N-tridecylprop-1-ene-1,3-diamine?
The canonical SMILES for N-tridecylprop-1-ene-1,3-diamine is CCCCCCCCCCCCCNC=CCN.
What is the InChIKey of N-tridecylprop-1-ene-1,3-diamine?
The InChIKey is RJJHXUNTYHKFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17/h13,16,18H,2-12,14-15,17H2,1H3.
What are the key properties of N-tridecylprop-1-ene-1,3-diamine?
N-tridecylprop-1-ene-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 4.36, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tridecylprop-1-ene-1,3-diamine is sourced from PubChem (CID 173118910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).