4-[[(1-butyltetrazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid

C14H25N5O2 — CID 79529658

IUPAC4-[[(1-butyltetrazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCCCCn1nnnc1CNCC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H25N5O2/c1-2-3-8-19-13(16-17-18-19)10-15-9-11-4-6-12(7-5-11)14(20)21/h11-12,15H,2-10H2,1H3,(H,20,21)
InChIKeyNJLFFCSSEKFILZ-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.45
Rot. Bonds8

About 4-[[(1-butyltetrazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid

4-[[(1-butyltetrazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79529658) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-[[(1-butyltetrazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(1-butyltetrazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79529658
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name4-[[(1-butyltetrazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCCCCn1nnnc1CNCC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H25N5O2/c1-2-3-8-19-13(16-17-18-19)10-15-9-11-4-6-12(7-5-11)14(20)21/h11-12,15H,2-10H2,1H3,(H,20,21)
InChIKeyNJLFFCSSEKFILZ-UHFFFAOYSA-N
XLogP1.45
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1-butyltetrazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(1-butyltetrazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid (CID 79529658) is 4-[[(1-butyltetrazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(1-butyltetrazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(1-butyltetrazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid is CCCCn1nnnc1CNCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[(1-butyltetrazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is NJLFFCSSEKFILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-2-3-8-19-13(16-17-18-19)10-15-9-11-4-6-12(7-5-11)14(20)21/h11-12,15H,2-10H2,1H3,(H,20,21).
What are the key properties of 4-[[(1-butyltetrazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid?
4-[[(1-butyltetrazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 295.39 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-butyltetrazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79529658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).