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

C10H19N5 — CID 61151382

IUPAC4-propyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine
SMILESCCCC1CCC(N)(c2nn[nH]n2)CC1
InChIInChI=1S/C10H19N5/c1-2-3-8-4-6-10(11,7-5-8)9-12-14-15-13-9/h8H,2-7,11H2,1H3,(H,12,13,14,15)
InChIKeyWJBJMVVVUWVRLO-UHFFFAOYSA-N
MW209.30 g/mol
LogP1.34
Rot. Bonds3

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

4-propyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine (PubChem CID 61151382) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 4-propyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-propyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine
PubChem CID61151382
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name4-propyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine
SMILESCCCC1CCC(N)(c2nn[nH]n2)CC1
InChIInChI=1S/C10H19N5/c1-2-3-8-4-6-10(11,7-5-8)9-12-14-15-13-9/h8H,2-7,11H2,1H3,(H,12,13,14,15)
InChIKeyWJBJMVVVUWVRLO-UHFFFAOYSA-N
XLogP1.34
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine?
The IUPAC name of 4-propyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine (CID 61151382) is 4-propyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-propyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 4-propyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine is CCCC1CCC(N)(c2nn[nH]n2)CC1.
What is the InChIKey of 4-propyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine?
The InChIKey is WJBJMVVVUWVRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-2-3-8-4-6-10(11,7-5-8)9-12-14-15-13-9/h8H,2-7,11H2,1H3,(H,12,13,14,15).
What are the key properties of 4-propyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine?
4-propyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine has a molecular weight of 209.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 61151382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).