2-cyclopentyl-N-(2-methoxyethyl)-3-(2-methyltetrazol-5-yl)propan-1-amine

C13H25N5O — CID 107053577

IUPAC2-cyclopentyl-N-(2-methoxyethyl)-3-(2-methyltetrazol-5-yl)propan-1-amine
SMILESCOCCNCC(Cc1nnn(C)n1)C1CCCC1
InChIInChI=1S/C13H25N5O/c1-18-16-13(15-17-18)9-12(10-14-7-8-19-2)11-5-3-4-6-11/h11-12,14H,3-10H2,1-2H3
InChIKeyOVKLWVJRWTWPSE-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.80
Rot. Bonds8

About 2-cyclopentyl-N-(2-methoxyethyl)-3-(2-methyltetrazol-5-yl)propan-1-amine

2-cyclopentyl-N-(2-methoxyethyl)-3-(2-methyltetrazol-5-yl)propan-1-amine (PubChem CID 107053577) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-cyclopentyl-N-(2-methoxyethyl)-3-(2-methyltetrazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-N-(2-methoxyethyl)-3-(2-methyltetrazol-5-yl)propan-1-amine
PubChem CID107053577
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-cyclopentyl-N-(2-methoxyethyl)-3-(2-methyltetrazol-5-yl)propan-1-amine
SMILESCOCCNCC(Cc1nnn(C)n1)C1CCCC1
InChIInChI=1S/C13H25N5O/c1-18-16-13(15-17-18)9-12(10-14-7-8-19-2)11-5-3-4-6-11/h11-12,14H,3-10H2,1-2H3
InChIKeyOVKLWVJRWTWPSE-UHFFFAOYSA-N
XLogP0.80
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.80
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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Related Compounds

O-[2-[5-(azacycloundec-4-yl)tetrazol-2-yl]ethyl]hydroxylamine
CID 170248990
N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050898
N-[1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107050901
1-(1-ethoxycyclopentyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051108
N-[1-(1-ethoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107051110
2-methoxy-N-[[2-[(2-methyltetrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 107053123
2-methoxy-N-[[1-[(2-methyltetrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine
CID 107053142
2-methoxy-N-[[1-[(2-methyltetrazol-5-yl)methyl]cyclopentyl]methyl]ethanamine
CID 107053153
N-(2-methoxyethyl)-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine
CID 107053165
2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]hexan-1-amine
CID 107053183
2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107053196
N-(2-methoxyethyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053209

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(2-methoxyethyl)-3-(2-methyltetrazol-5-yl)propan-1-amine?
The IUPAC name of 2-cyclopentyl-N-(2-methoxyethyl)-3-(2-methyltetrazol-5-yl)propan-1-amine (CID 107053577) is 2-cyclopentyl-N-(2-methoxyethyl)-3-(2-methyltetrazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-cyclopentyl-N-(2-methoxyethyl)-3-(2-methyltetrazol-5-yl)propan-1-amine?
The canonical SMILES for 2-cyclopentyl-N-(2-methoxyethyl)-3-(2-methyltetrazol-5-yl)propan-1-amine is COCCNCC(Cc1nnn(C)n1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-(2-methoxyethyl)-3-(2-methyltetrazol-5-yl)propan-1-amine?
The InChIKey is OVKLWVJRWTWPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-18-16-13(15-17-18)9-12(10-14-7-8-19-2)11-5-3-4-6-11/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 2-cyclopentyl-N-(2-methoxyethyl)-3-(2-methyltetrazol-5-yl)propan-1-amine?
2-cyclopentyl-N-(2-methoxyethyl)-3-(2-methyltetrazol-5-yl)propan-1-amine has a molecular weight of 267.38 g/mol, XLogP of 0.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(2-methoxyethyl)-3-(2-methyltetrazol-5-yl)propan-1-amine is sourced from PubChem (CID 107053577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).