4-cyclohexyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-2-amine

C16H30N4 — CID 104997751

IUPAC4-cyclohexyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCC1CCCCC1)Cc1ncnn1C
InChIInChI=1S/C16H30N4/c1-3-11-17-15(12-16-18-13-19-20(16)2)10-9-14-7-5-4-6-8-14/h13-15,17H,3-12H2,1-2H3
InChIKeyAYXUURHMPFDHHS-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.09
Rot. Bonds8

About 4-cyclohexyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-2-amine

4-cyclohexyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-2-amine (PubChem CID 104997751) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-cyclohexyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-2-amine
PubChem CID104997751
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name4-cyclohexyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCC1CCCCC1)Cc1ncnn1C
InChIInChI=1S/C16H30N4/c1-3-11-17-15(12-16-18-13-19-20(16)2)10-9-14-7-5-4-6-8-14/h13-15,17H,3-12H2,1-2H3
InChIKeyAYXUURHMPFDHHS-UHFFFAOYSA-N
XLogP3.09
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopentyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105012343
4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105012509
1-cyclohexyl-N-propylhexan-3-amine
CID 63400154
4-cyclohexyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine
CID 66446892
1-cyclooctyl-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 80611657
1-(2-cyclohexylethyl)-2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111704983
3-cyclopentyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 106010455
3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine
CID 116760277
1-(3-bromothiophen-2-yl)-4-cyclopentyl-N-propylbutan-2-amine
CID 115848931
1-cyclobutyl-4-cyclopentyl-N-propylbutan-2-amine
CID 115863549
5,5,5-trifluoro-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 79964580
4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003205

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-2-amine?
The IUPAC name of 4-cyclohexyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-2-amine (CID 104997751) is 4-cyclohexyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-cyclohexyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-2-amine?
The canonical SMILES for 4-cyclohexyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-2-amine is CCCNC(CCC1CCCCC1)Cc1ncnn1C.
What is the InChIKey of 4-cyclohexyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-2-amine?
The InChIKey is AYXUURHMPFDHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-3-11-17-15(12-16-18-13-19-20(16)2)10-9-14-7-5-4-6-8-14/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 4-cyclohexyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-2-amine?
4-cyclohexyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 104997751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).