1-cyclohex-3-en-1-yl-N-[(2-methyltetrazol-5-yl)methyl]methanamine

C10H17N5 — CID 107042327

IUPAC1-cyclohex-3-en-1-yl-N-[(2-methyltetrazol-5-yl)methyl]methanamine
SMILESCn1nnc(CNCC2CC=CCC2)n1
InChIInChI=1S/C10H17N5/c1-15-13-10(12-14-15)8-11-7-9-5-3-2-4-6-9/h2-3,9,11H,4-8H2,1H3
InChIKeySXBCCYRXUDIQOW-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.66
Rot. Bonds4

About 1-cyclohex-3-en-1-yl-N-[(2-methyltetrazol-5-yl)methyl]methanamine

1-cyclohex-3-en-1-yl-N-[(2-methyltetrazol-5-yl)methyl]methanamine (PubChem CID 107042327) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-[(2-methyltetrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-[(2-methyltetrazol-5-yl)methyl]methanamine
PubChem CID107042327
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name1-cyclohex-3-en-1-yl-N-[(2-methyltetrazol-5-yl)methyl]methanamine
SMILESCn1nnc(CNCC2CC=CCC2)n1
InChIInChI=1S/C10H17N5/c1-15-13-10(12-14-15)8-11-7-9-5-3-2-4-6-9/h2-3,9,11H,4-8H2,1H3
InChIKeySXBCCYRXUDIQOW-UHFFFAOYSA-N
XLogP0.66
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-1-(2H-tetrazol-5-yl)ethanamine
CID 61853239
1-cyclohex-3-en-1-yl-N-(2H-tetrazol-5-ylmethyl)methanamine
CID 61854294
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
CID 103276702
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine
CID 103276703
2-(cyclopenten-1-yl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 106173854
2-(cyclohexen-1-yl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042350
N-[(2-methyltetrazol-5-yl)methyl]cyclohex-3-en-1-amine
CID 107042495
1-[(4Z)-cyclooct-4-en-1-yl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 167812406

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-[(2-methyltetrazol-5-yl)methyl]methanamine (CID 107042327) is 1-cyclohex-3-en-1-yl-N-[(2-methyltetrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-[(2-methyltetrazol-5-yl)methyl]methanamine is Cn1nnc(CNCC2CC=CCC2)n1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
The InChIKey is SXBCCYRXUDIQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-15-13-10(12-14-15)8-11-7-9-5-3-2-4-6-9/h2-3,9,11H,4-8H2,1H3.
What are the key properties of 1-cyclohex-3-en-1-yl-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
1-cyclohex-3-en-1-yl-N-[(2-methyltetrazol-5-yl)methyl]methanamine has a molecular weight of 207.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-N-[(2-methyltetrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 107042327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).