3-cyclopropyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine

C10H17N5 — CID 64623642

IUPAC3-cyclopropyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine
SMILESNC1(c2nn[nH]n2)CCCC(C2CC2)C1
InChIInChI=1S/C10H17N5/c11-10(9-12-14-15-13-9)5-1-2-8(6-10)7-3-4-7/h7-8H,1-6,11H2,(H,12,13,14,15)
InChIKeyNALSDPLPYIZQCS-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.95
Rot. Bonds2

About 3-cyclopropyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine

3-cyclopropyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine (PubChem CID 64623642) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine
PubChem CID64623642
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name3-cyclopropyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine
SMILESNC1(c2nn[nH]n2)CCCC(C2CC2)C1
InChIInChI=1S/C10H17N5/c11-10(9-12-14-15-13-9)5-1-2-8(6-10)7-3-4-7/h7-8H,1-6,11H2,(H,12,13,14,15)
InChIKeyNALSDPLPYIZQCS-UHFFFAOYSA-N
XLogP0.95
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine?
The IUPAC name of 3-cyclopropyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine (CID 64623642) is 3-cyclopropyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-cyclopropyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 3-cyclopropyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine is NC1(c2nn[nH]n2)CCCC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine?
The InChIKey is NALSDPLPYIZQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c11-10(9-12-14-15-13-9)5-1-2-8(6-10)7-3-4-7/h7-8H,1-6,11H2,(H,12,13,14,15).
What are the key properties of 3-cyclopropyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine?
3-cyclopropyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine has a molecular weight of 207.28 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 3-cyclopropyl-1-(2H-tetrazol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 64623642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).