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

C11H21N5O — CID 62738180

IUPACN-[[1-(2-methoxycyclopentyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nnnn1C1CCCC1OC
InChIInChI=1S/C11H21N5O/c1-3-7-12-8-11-13-14-15-16(11)9-5-4-6-10(9)17-2/h9-10,12H,3-8H2,1-2H3
InChIKeyRLEULSKYVWDMGB-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.91
Rot. Bonds6

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

N-[[1-(2-methoxycyclopentyl)tetrazol-5-yl]methyl]propan-1-amine (PubChem CID 62738180) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[[1-(2-methoxycyclopentyl)tetrazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxycyclopentyl)tetrazol-5-yl]methyl]propan-1-amine
PubChem CID62738180
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN-[[1-(2-methoxycyclopentyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nnnn1C1CCCC1OC
InChIInChI=1S/C11H21N5O/c1-3-7-12-8-11-13-14-15-16(11)9-5-4-6-10(9)17-2/h9-10,12H,3-8H2,1-2H3
InChIKeyRLEULSKYVWDMGB-UHFFFAOYSA-N
XLogP0.91
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxycyclopentyl)tetrazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2-methoxycyclopentyl)tetrazol-5-yl]methyl]propan-1-amine (CID 62738180) is N-[[1-(2-methoxycyclopentyl)tetrazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-methoxycyclopentyl)tetrazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-methoxycyclopentyl)tetrazol-5-yl]methyl]propan-1-amine is CCCNCc1nnnn1C1CCCC1OC.
What is the InChIKey of N-[[1-(2-methoxycyclopentyl)tetrazol-5-yl]methyl]propan-1-amine?
The InChIKey is RLEULSKYVWDMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-3-7-12-8-11-13-14-15-16(11)9-5-4-6-10(9)17-2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-[[1-(2-methoxycyclopentyl)tetrazol-5-yl]methyl]propan-1-amine?
N-[[1-(2-methoxycyclopentyl)tetrazol-5-yl]methyl]propan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxycyclopentyl)tetrazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62738180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).