(3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclohexan-1-amine

C9H15N5 — CID 107058892

IUPAC(3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclohexan-1-amine
SMILESCn1nnc(/C=C2/CCCC(N)C2)n1
InChIInChI=1S/C9H15N5/c1-14-12-9(11-13-14)6-7-3-2-4-8(10)5-7/h6,8H,2-5,10H2,1H3/b7-6-
InChIKeyNHFQSWMXSLRGNW-SREVYHEPSA-N
MW193.25 g/mol
LogP0.49
Rot. Bonds1

About (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclohexan-1-amine

(3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclohexan-1-amine (PubChem CID 107058892) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclohexan-1-amine.

Molecular Properties

Compound Name(3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclohexan-1-amine
PubChem CID107058892
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name(3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclohexan-1-amine
SMILESCn1nnc(/C=C2/CCCC(N)C2)n1
InChIInChI=1S/C9H15N5/c1-14-12-9(11-13-14)6-7-3-2-4-8(10)5-7/h6,8H,2-5,10H2,1H3/b7-6-
InChIKeyNHFQSWMXSLRGNW-SREVYHEPSA-N
XLogP0.49
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclohexan-1-amine?
The IUPAC name of (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclohexan-1-amine (CID 107058892) is (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclohexan-1-amine.
What is the SMILES notation for (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclohexan-1-amine?
The canonical SMILES for (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclohexan-1-amine is Cn1nnc(/C=C2/CCCC(N)C2)n1.
What is the InChIKey of (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclohexan-1-amine?
The InChIKey is NHFQSWMXSLRGNW-SREVYHEPSA-N. The full InChI is InChI=1S/C9H15N5/c1-14-12-9(11-13-14)6-7-3-2-4-8(10)5-7/h6,8H,2-5,10H2,1H3/b7-6-.
What are the key properties of (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclohexan-1-amine?
(3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclohexan-1-amine has a molecular weight of 193.25 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclohexan-1-amine is sourced from PubChem (CID 107058892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).