N-[[1-(2-cyclopentylethyl)tetrazol-5-yl]methyl]propan-1-amine

C12H23N5 — CID 62735608

IUPACN-[[1-(2-cyclopentylethyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nnnn1CCC1CCCC1
InChIInChI=1S/C12H23N5/c1-2-8-13-10-12-14-15-16-17(12)9-7-11-5-3-4-6-11/h11,13H,2-10H2,1H3
InChIKeyPCWQCSZZXFGBQD-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.75
Rot. Bonds7

About N-[[1-(2-cyclopentylethyl)tetrazol-5-yl]methyl]propan-1-amine

N-[[1-(2-cyclopentylethyl)tetrazol-5-yl]methyl]propan-1-amine (PubChem CID 62735608) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[1-(2-cyclopentylethyl)tetrazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-cyclopentylethyl)tetrazol-5-yl]methyl]propan-1-amine
PubChem CID62735608
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-[[1-(2-cyclopentylethyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nnnn1CCC1CCCC1
InChIInChI=1S/C12H23N5/c1-2-8-13-10-12-14-15-16-17(12)9-7-11-5-3-4-6-11/h11,13H,2-10H2,1H3
InChIKeyPCWQCSZZXFGBQD-UHFFFAOYSA-N
XLogP1.75
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-cyclopentylethyl)tetrazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2-cyclopentylethyl)tetrazol-5-yl]methyl]propan-1-amine (CID 62735608) is N-[[1-(2-cyclopentylethyl)tetrazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-cyclopentylethyl)tetrazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-cyclopentylethyl)tetrazol-5-yl]methyl]propan-1-amine is CCCNCc1nnnn1CCC1CCCC1.
What is the InChIKey of N-[[1-(2-cyclopentylethyl)tetrazol-5-yl]methyl]propan-1-amine?
The InChIKey is PCWQCSZZXFGBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-2-8-13-10-12-14-15-16-17(12)9-7-11-5-3-4-6-11/h11,13H,2-10H2,1H3.
What are the key properties of N-[[1-(2-cyclopentylethyl)tetrazol-5-yl]methyl]propan-1-amine?
N-[[1-(2-cyclopentylethyl)tetrazol-5-yl]methyl]propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-cyclopentylethyl)tetrazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62735608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).