N-(1-cyclohexyltriazol-4-yl)-N',N'-dipropylpropane-1,3-diamine

C17H33N5 — CID 90274257

IUPACN-(1-cyclohexyltriazol-4-yl)-N',N'-dipropylpropane-1,3-diamine
SMILESCCCN(CCC)CCCNc1cn(C2CCCCC2)nn1
InChIInChI=1S/C17H33N5/c1-3-12-21(13-4-2)14-8-11-18-17-15-22(20-19-17)16-9-6-5-7-10-16/h15-16,18H,3-14H2,1-2H3
InChIKeyKFYXJMXUTBPWRD-UHFFFAOYSA-N
MW307.49 g/mol
LogP3.71
Rot. Bonds10

About N-(1-cyclohexyltriazol-4-yl)-N',N'-dipropylpropane-1,3-diamine

N-(1-cyclohexyltriazol-4-yl)-N',N'-dipropylpropane-1,3-diamine (PubChem CID 90274257) has the molecular formula C17H33N5 and a molecular weight of 307.49 g/mol. Its IUPAC name is N-(1-cyclohexyltriazol-4-yl)-N',N'-dipropylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(1-cyclohexyltriazol-4-yl)-N',N'-dipropylpropane-1,3-diamine
PubChem CID90274257
Molecular FormulaC17H33N5
Molecular Weight307.49 g/mol
Exact Mass307.27
IUPAC NameN-(1-cyclohexyltriazol-4-yl)-N',N'-dipropylpropane-1,3-diamine
SMILESCCCN(CCC)CCCNc1cn(C2CCCCC2)nn1
InChIInChI=1S/C17H33N5/c1-3-12-21(13-4-2)14-8-11-18-17-15-22(20-19-17)16-9-6-5-7-10-16/h15-16,18H,3-14H2,1-2H3
InChIKeyKFYXJMXUTBPWRD-UHFFFAOYSA-N
XLogP3.71
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyltriazol-4-yl)-N',N'-dipropylpropane-1,3-diamine?
The IUPAC name of N-(1-cyclohexyltriazol-4-yl)-N',N'-dipropylpropane-1,3-diamine (CID 90274257) is N-(1-cyclohexyltriazol-4-yl)-N',N'-dipropylpropane-1,3-diamine.
What is the SMILES notation for N-(1-cyclohexyltriazol-4-yl)-N',N'-dipropylpropane-1,3-diamine?
The canonical SMILES for N-(1-cyclohexyltriazol-4-yl)-N',N'-dipropylpropane-1,3-diamine is CCCN(CCC)CCCNc1cn(C2CCCCC2)nn1.
What is the InChIKey of N-(1-cyclohexyltriazol-4-yl)-N',N'-dipropylpropane-1,3-diamine?
The InChIKey is KFYXJMXUTBPWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N5/c1-3-12-21(13-4-2)14-8-11-18-17-15-22(20-19-17)16-9-6-5-7-10-16/h15-16,18H,3-14H2,1-2H3.
What are the key properties of N-(1-cyclohexyltriazol-4-yl)-N',N'-dipropylpropane-1,3-diamine?
N-(1-cyclohexyltriazol-4-yl)-N',N'-dipropylpropane-1,3-diamine has a molecular weight of 307.49 g/mol, XLogP of 3.71, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyltriazol-4-yl)-N',N'-dipropylpropane-1,3-diamine is sourced from PubChem (CID 90274257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).