4-(aminomethyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide

C10H18N6O — CID 79526901

IUPAC4-(aminomethyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCc2nn[nH]n2)CC1
InChIInChI=1S/C10H18N6O/c11-5-7-1-3-8(4-2-7)10(17)12-6-9-13-15-16-14-9/h7-8H,1-6,11H2,(H,12,17)(H,13,14,15,16)
InChIKeyMWFOGNIMKRPGGX-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.42
Rot. Bonds4

About 4-(aminomethyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 79526901) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide
PubChem CID79526901
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name4-(aminomethyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCc2nn[nH]n2)CC1
InChIInChI=1S/C10H18N6O/c11-5-7-1-3-8(4-2-7)10(17)12-6-9-13-15-16-14-9/h7-8H,1-6,11H2,(H,12,17)(H,13,14,15,16)
InChIKeyMWFOGNIMKRPGGX-UHFFFAOYSA-N
XLogP-0.42
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide (CID 79526901) is 4-(aminomethyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide is NCC1CCC(C(=O)NCc2nn[nH]n2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is MWFOGNIMKRPGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c11-5-7-1-3-8(4-2-7)10(17)12-6-9-13-15-16-14-9/h7-8H,1-6,11H2,(H,12,17)(H,13,14,15,16).
What are the key properties of 4-(aminomethyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 238.29 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2H-tetrazol-5-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79526901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).