3-(1-methyltetrazol-5-yl)-N-phosphanylcycloheptan-1-amine

C9H18N5P — CID 163417038

IUPAC3-(1-methyltetrazol-5-yl)-N-phosphanylcycloheptan-1-amine
SMILESCn1nnnc1C1CCCCC(NP)C1
InChIInChI=1S/C9H18N5P/c1-14-9(10-12-13-14)7-4-2-3-5-8(6-7)11-15/h7-8,11H,2-6,15H2,1H3
InChIKeyAFHFVSWHLDBDTN-UHFFFAOYSA-N
MW227.25 g/mol
LogP1.01
Rot. Bonds2

About 3-(1-methyltetrazol-5-yl)-N-phosphanylcycloheptan-1-amine

3-(1-methyltetrazol-5-yl)-N-phosphanylcycloheptan-1-amine (PubChem CID 163417038) has the molecular formula C9H18N5P and a molecular weight of 227.25 g/mol. Its IUPAC name is 3-(1-methyltetrazol-5-yl)-N-phosphanylcycloheptan-1-amine.

Molecular Properties

Compound Name3-(1-methyltetrazol-5-yl)-N-phosphanylcycloheptan-1-amine
PubChem CID163417038
Molecular FormulaC9H18N5P
Molecular Weight227.25 g/mol
Exact Mass227.13
IUPAC Name3-(1-methyltetrazol-5-yl)-N-phosphanylcycloheptan-1-amine
SMILESCn1nnnc1C1CCCCC(NP)C1
InChIInChI=1S/C9H18N5P/c1-14-9(10-12-13-14)7-4-2-3-5-8(6-7)11-15/h7-8,11H,2-6,15H2,1H3
InChIKeyAFHFVSWHLDBDTN-UHFFFAOYSA-N
XLogP1.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltetrazol-5-yl)-N-phosphanylcycloheptan-1-amine?
The IUPAC name of 3-(1-methyltetrazol-5-yl)-N-phosphanylcycloheptan-1-amine (CID 163417038) is 3-(1-methyltetrazol-5-yl)-N-phosphanylcycloheptan-1-amine.
What is the SMILES notation for 3-(1-methyltetrazol-5-yl)-N-phosphanylcycloheptan-1-amine?
The canonical SMILES for 3-(1-methyltetrazol-5-yl)-N-phosphanylcycloheptan-1-amine is Cn1nnnc1C1CCCCC(NP)C1.
What is the InChIKey of 3-(1-methyltetrazol-5-yl)-N-phosphanylcycloheptan-1-amine?
The InChIKey is AFHFVSWHLDBDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N5P/c1-14-9(10-12-13-14)7-4-2-3-5-8(6-7)11-15/h7-8,11H,2-6,15H2,1H3.
What are the key properties of 3-(1-methyltetrazol-5-yl)-N-phosphanylcycloheptan-1-amine?
3-(1-methyltetrazol-5-yl)-N-phosphanylcycloheptan-1-amine has a molecular weight of 227.25 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltetrazol-5-yl)-N-phosphanylcycloheptan-1-amine is sourced from PubChem (CID 163417038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).