N-[[1-(chloromethyl)cyclopentyl]methyl]-1-methyltetrazol-5-amine

C9H16ClN5 — CID 115363664

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCC1(CCl)CCCC1
InChIInChI=1S/C9H16ClN5/c1-15-8(12-13-14-15)11-7-9(6-10)4-2-3-5-9/h2-7H2,1H3,(H,11,12,14)
InChIKeyHSBILZUHYDFJEN-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.42
Rot. Bonds4

About N-[[1-(chloromethyl)cyclopentyl]methyl]-1-methyltetrazol-5-amine

N-[[1-(chloromethyl)cyclopentyl]methyl]-1-methyltetrazol-5-amine (PubChem CID 115363664) has the molecular formula C9H16ClN5 and a molecular weight of 229.71 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]-1-methyltetrazol-5-amine
PubChem CID115363664
Molecular FormulaC9H16ClN5
Molecular Weight229.71 g/mol
Exact Mass229.11
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCC1(CCl)CCCC1
InChIInChI=1S/C9H16ClN5/c1-15-8(12-13-14-15)11-7-9(6-10)4-2-3-5-9/h2-7H2,1H3,(H,11,12,14)
InChIKeyHSBILZUHYDFJEN-UHFFFAOYSA-N
XLogP1.42
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-1-methyltetrazol-5-amine (CID 115363664) is N-[[1-(chloromethyl)cyclopentyl]methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]-1-methyltetrazol-5-amine is Cn1nnnc1NCC1(CCl)CCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]-1-methyltetrazol-5-amine?
The InChIKey is HSBILZUHYDFJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5/c1-15-8(12-13-14-15)11-7-9(6-10)4-2-3-5-9/h2-7H2,1H3,(H,11,12,14).
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]-1-methyltetrazol-5-amine?
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-methyltetrazol-5-amine has a molecular weight of 229.71 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopentyl]methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 115363664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).