2-[(1-butyltetrazol-5-yl)methyl-methylamino]cyclohexan-1-ol

C13H25N5O — CID 102636336

IUPAC2-[(1-butyltetrazol-5-yl)methyl-methylamino]cyclohexan-1-ol
SMILESCCCCn1nnnc1CN(C)C1CCCCC1O
InChIInChI=1S/C13H25N5O/c1-3-4-9-18-13(14-15-16-18)10-17(2)11-7-5-6-8-12(11)19/h11-12,19H,3-10H2,1-2H3
InChIKeyFNSCICHHBULOEZ-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.21
Rot. Bonds6

About 2-[(1-butyltetrazol-5-yl)methyl-methylamino]cyclohexan-1-ol

2-[(1-butyltetrazol-5-yl)methyl-methylamino]cyclohexan-1-ol (PubChem CID 102636336) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[(1-butyltetrazol-5-yl)methyl-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(1-butyltetrazol-5-yl)methyl-methylamino]cyclohexan-1-ol
PubChem CID102636336
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-[(1-butyltetrazol-5-yl)methyl-methylamino]cyclohexan-1-ol
SMILESCCCCn1nnnc1CN(C)C1CCCCC1O
InChIInChI=1S/C13H25N5O/c1-3-4-9-18-13(14-15-16-18)10-17(2)11-7-5-6-8-12(11)19/h11-12,19H,3-10H2,1-2H3
InChIKeyFNSCICHHBULOEZ-UHFFFAOYSA-N
XLogP1.21
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-butyltetrazol-5-yl)methyl-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(1-butyltetrazol-5-yl)methyl-methylamino]cyclohexan-1-ol (CID 102636336) is 2-[(1-butyltetrazol-5-yl)methyl-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(1-butyltetrazol-5-yl)methyl-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(1-butyltetrazol-5-yl)methyl-methylamino]cyclohexan-1-ol is CCCCn1nnnc1CN(C)C1CCCCC1O.
What is the InChIKey of 2-[(1-butyltetrazol-5-yl)methyl-methylamino]cyclohexan-1-ol?
The InChIKey is FNSCICHHBULOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-3-4-9-18-13(14-15-16-18)10-17(2)11-7-5-6-8-12(11)19/h11-12,19H,3-10H2,1-2H3.
What are the key properties of 2-[(1-butyltetrazol-5-yl)methyl-methylamino]cyclohexan-1-ol?
2-[(1-butyltetrazol-5-yl)methyl-methylamino]cyclohexan-1-ol has a molecular weight of 267.38 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butyltetrazol-5-yl)methyl-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102636336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).