4-ethyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine

C9H17N5 — CID 61150987

IUPAC4-ethyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine
SMILESCCC1CCC(N)(c2nn[nH]n2)CC1
InChIInChI=1S/C9H17N5/c1-2-7-3-5-9(10,6-4-7)8-11-13-14-12-8/h7H,2-6,10H2,1H3,(H,11,12,13,14)
InChIKeyNVDCAPFQMHOFQV-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.95
Rot. Bonds2

About 4-ethyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine

4-ethyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine (PubChem CID 61150987) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-ethyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine
PubChem CID61150987
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name4-ethyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine
SMILESCCC1CCC(N)(c2nn[nH]n2)CC1
InChIInChI=1S/C9H17N5/c1-2-7-3-5-9(10,6-4-7)8-11-13-14-12-8/h7H,2-6,10H2,1H3,(H,11,12,13,14)
InChIKeyNVDCAPFQMHOFQV-UHFFFAOYSA-N
XLogP0.95
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine (CID 61150987) is 4-ethyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine is CCC1CCC(N)(c2nn[nH]n2)CC1.
What is the InChIKey of 4-ethyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine?
The InChIKey is NVDCAPFQMHOFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-2-7-3-5-9(10,6-4-7)8-11-13-14-12-8/h7H,2-6,10H2,1H3,(H,11,12,13,14).
What are the key properties of 4-ethyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine?
4-ethyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine has a molecular weight of 195.27 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 61150987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).