2-(1-aminocyclohexyl)-N-(2H-tetrazol-5-ylmethyl)acetamide

C10H18N6O — CID 64677423

IUPAC2-(1-aminocyclohexyl)-N-(2H-tetrazol-5-ylmethyl)acetamide
SMILESNC1(CC(=O)NCc2nn[nH]n2)CCCCC1
InChIInChI=1S/C10H18N6O/c11-10(4-2-1-3-5-10)6-9(17)12-7-8-13-15-16-14-8/h1-7,11H2,(H,12,17)(H,13,14,15,16)
InChIKeyCQYVRYWYVLEVDL-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.13
Rot. Bonds4

About 2-(1-aminocyclohexyl)-N-(2H-tetrazol-5-ylmethyl)acetamide

2-(1-aminocyclohexyl)-N-(2H-tetrazol-5-ylmethyl)acetamide (PubChem CID 64677423) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-(2H-tetrazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-(2H-tetrazol-5-ylmethyl)acetamide
PubChem CID64677423
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name2-(1-aminocyclohexyl)-N-(2H-tetrazol-5-ylmethyl)acetamide
SMILESNC1(CC(=O)NCc2nn[nH]n2)CCCCC1
InChIInChI=1S/C10H18N6O/c11-10(4-2-1-3-5-10)6-9(17)12-7-8-13-15-16-14-8/h1-7,11H2,(H,12,17)(H,13,14,15,16)
InChIKeyCQYVRYWYVLEVDL-UHFFFAOYSA-N
XLogP-0.13
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 ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-(2H-tetrazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-(2H-tetrazol-5-ylmethyl)acetamide (CID 64677423) is 2-(1-aminocyclohexyl)-N-(2H-tetrazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-(2H-tetrazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-(2H-tetrazol-5-ylmethyl)acetamide is NC1(CC(=O)NCc2nn[nH]n2)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-(2H-tetrazol-5-ylmethyl)acetamide?
The InChIKey is CQYVRYWYVLEVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c11-10(4-2-1-3-5-10)6-9(17)12-7-8-13-15-16-14-8/h1-7,11H2,(H,12,17)(H,13,14,15,16).
What are the key properties of 2-(1-aminocyclohexyl)-N-(2H-tetrazol-5-ylmethyl)acetamide?
2-(1-aminocyclohexyl)-N-(2H-tetrazol-5-ylmethyl)acetamide has a molecular weight of 238.29 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-(2H-tetrazol-5-ylmethyl)acetamide is sourced from PubChem (CID 64677423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).