3-[(2-methyltetrazol-5-yl)methyl]cyclohept-2-en-1-amine

C10H17N5 — CID 107383194

IUPAC3-[(2-methyltetrazol-5-yl)methyl]cyclohept-2-en-1-amine
SMILESCn1nnc(CC2=CC(N)CCCC2)n1
InChIInChI=1S/C10H17N5/c1-15-13-10(12-14-15)7-8-4-2-3-5-9(11)6-8/h6,9H,2-5,7,11H2,1H3
InChIKeyWQPNYHXJJZBNDC-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.58
Rot. Bonds2

About 3-[(2-methyltetrazol-5-yl)methyl]cyclohept-2-en-1-amine

3-[(2-methyltetrazol-5-yl)methyl]cyclohept-2-en-1-amine (PubChem CID 107383194) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-[(2-methyltetrazol-5-yl)methyl]cyclohept-2-en-1-amine.

Molecular Properties

Compound Name3-[(2-methyltetrazol-5-yl)methyl]cyclohept-2-en-1-amine
PubChem CID107383194
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name3-[(2-methyltetrazol-5-yl)methyl]cyclohept-2-en-1-amine
SMILESCn1nnc(CC2=CC(N)CCCC2)n1
InChIInChI=1S/C10H17N5/c1-15-13-10(12-14-15)7-8-4-2-3-5-9(11)6-8/h6,9H,2-5,7,11H2,1H3
InChIKeyWQPNYHXJJZBNDC-UHFFFAOYSA-N
XLogP0.58
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.58
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

1-(Cyclohexen-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107050930
1-(cyclohexen-1-yl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107050933
1-(cyclohexen-1-yl)-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine
CID 107050934
3-[(2-Methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine
CID 107054965
5,5-Dimethyl-3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine
CID 107054967
3-[(2-Methyltetrazol-5-yl)methyl]cyclopent-2-en-1-amine
CID 107054969
4-[(2-Methyltetrazol-5-yl)methylidene]cyclohexan-1-amine
CID 107058875
(3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclopentan-1-amine
CID 107058886
(3Z)-3-[(2-methyltetrazol-5-yl)methylidene]cyclohexan-1-amine
CID 107058892
2-[2-Methyl-3-(2-methyltetrazol-5-yl)prop-2-enyl]piperidine
CID 107058899
[1-(Cyclohexen-1-yl)-3-(2-methyltetrazol-5-yl)propan-2-yl]hydrazine
CID 107066404
1-(cyclohexen-1-yl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 113910311

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]cyclohept-2-en-1-amine?
The IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]cyclohept-2-en-1-amine (CID 107383194) is 3-[(2-methyltetrazol-5-yl)methyl]cyclohept-2-en-1-amine.
What is the SMILES notation for 3-[(2-methyltetrazol-5-yl)methyl]cyclohept-2-en-1-amine?
The canonical SMILES for 3-[(2-methyltetrazol-5-yl)methyl]cyclohept-2-en-1-amine is Cn1nnc(CC2=CC(N)CCCC2)n1.
What is the InChIKey of 3-[(2-methyltetrazol-5-yl)methyl]cyclohept-2-en-1-amine?
The InChIKey is WQPNYHXJJZBNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-15-13-10(12-14-15)7-8-4-2-3-5-9(11)6-8/h6,9H,2-5,7,11H2,1H3.
What are the key properties of 3-[(2-methyltetrazol-5-yl)methyl]cyclohept-2-en-1-amine?
3-[(2-methyltetrazol-5-yl)methyl]cyclohept-2-en-1-amine has a molecular weight of 207.28 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyltetrazol-5-yl)methyl]cyclohept-2-en-1-amine is sourced from PubChem (CID 107383194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).