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

C14H27N5O — CID 95635544

IUPAC(2S)-2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol
SMILESCCCn1nnnc1CN[C@](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/t14-/m1/s1
InChIKeyRAJDJIXTUCWCSL-CQSZACIVSA-N
MW281.40 g/mol
LogP1.50
Rot. Bonds7

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

(2S)-2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol (PubChem CID 95635544) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol
PubChem CID95635544
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name(2S)-2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol
SMILESCCCn1nnnc1CN[C@](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/t14-/m1/s1
InChIKeyRAJDJIXTUCWCSL-CQSZACIVSA-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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Related Compounds

2-Cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol
CID 56795026
[1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol
CID 62520817
[1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methylamino]-3-methylcyclohexyl]methanol
CID 62552361
N-[[1-(1-cyclohexylethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 62736339
N-[[1-[(4-ethylcyclohexyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 62761175
2-methoxy-N-[[1-[(2-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine
CID 62761686
N-[[1-(1-cyclohexylpropyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 62761862
2-methoxy-N-[[1-[2-(4-methylcyclohexyl)ethyl]tetrazol-5-yl]methyl]ethanamine
CID 64226639
2-methoxy-N-[[1-[2-(3-methylcyclohexyl)ethyl]tetrazol-5-yl]methyl]ethanamine
CID 64227406
[1-[(2-Methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol
CID 65603196
[3-Methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol
CID 65603405
[1-[[2-(2-Methylpropyl)-1,2,4-triazol-3-yl]methylamino]cyclohexyl]methanol
CID 65609052

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol?
The IUPAC name of (2S)-2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol (CID 95635544) is (2S)-2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol.
What is the SMILES notation for (2S)-2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol?
The canonical SMILES for (2S)-2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol is CCCn1nnnc1CN[C@](C)(CO)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol?
The InChIKey is RAJDJIXTUCWCSL-CQSZACIVSA-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/t14-/m1/s1.
What are the key properties of (2S)-2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol?
(2S)-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 (2S)-2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol is sourced from PubChem (CID 95635544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).