2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol

C14H27N5O — CID 56795026

IUPAC2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol
SMILESCCCn1nnnc1CNC(C)(CO)C1CCCCC1
InChIInChI=1S/C14H27N5O/c1-3-9-19-13(16-17-18-19)10-15-14(2,11-20)12-7-5-4-6-8-12/h12,15,20H,3-11H2,1-2H3
InChIKeyRAJDJIXTUCWCSL-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.50
Rot. Bonds7

About 2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol

2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol (PubChem CID 56795026) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol
PubChem CID56795026
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol
SMILESCCCn1nnnc1CNC(C)(CO)C1CCCCC1
InChIInChI=1S/C14H27N5O/c1-3-9-19-13(16-17-18-19)10-15-14(2,11-20)12-7-5-4-6-8-12/h12,15,20H,3-11H2,1-2H3
InChIKeyRAJDJIXTUCWCSL-UHFFFAOYSA-N
XLogP1.50
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol?
The IUPAC name of 2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol (CID 56795026) is 2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol?
The canonical SMILES for 2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol is CCCn1nnnc1CNC(C)(CO)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol?
The InChIKey is RAJDJIXTUCWCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-3-9-19-13(16-17-18-19)10-15-14(2,11-20)12-7-5-4-6-8-12/h12,15,20H,3-11H2,1-2H3.
What are the key properties of 2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol?
2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol is sourced from PubChem (CID 56795026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).