N-(2-methoxyethyl)-1-[1-[2-(3-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine

C15H29N5O — CID 103086270

IUPACN-(2-methoxyethyl)-1-[1-[2-(3-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine
SMILESCOCCNC(C)c1nnnn1CCC1CCCC(C)C1
InChIInChI=1S/C15H29N5O/c1-12-5-4-6-14(11-12)7-9-20-15(17-18-19-20)13(2)16-8-10-21-3/h12-14,16H,4-11H2,1-3H3
InChIKeyACPBSDIGYYLBQS-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.19
Rot. Bonds8

About N-(2-methoxyethyl)-1-[1-[2-(3-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine

N-(2-methoxyethyl)-1-[1-[2-(3-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine (PubChem CID 103086270) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[1-[2-(3-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[1-[2-(3-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine
PubChem CID103086270
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC NameN-(2-methoxyethyl)-1-[1-[2-(3-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine
SMILESCOCCNC(C)c1nnnn1CCC1CCCC(C)C1
InChIInChI=1S/C15H29N5O/c1-12-5-4-6-14(11-12)7-9-20-15(17-18-19-20)13(2)16-8-10-21-3/h12-14,16H,4-11H2,1-3H3
InChIKeyACPBSDIGYYLBQS-UHFFFAOYSA-N
XLogP2.19
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.19
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

1-(1-ethyltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 103085409
N-ethyl-1-[1-[2-(4-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine
CID 103086274
1-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103085603
N-[1-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086194
N-(2-methoxyethyl)-1-[1-(3-phenylpropyl)tetrazol-5-yl]ethanamine
CID 103085538
N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]ethanamine
CID 103085567
N-(2-methoxyethyl)-1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethanamine
CID 103086514
N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]propan-2-amine
CID 114130100
N-(2-methoxyethyl)-1-[1-(2-thiophen-3-ylethyl)tetrazol-5-yl]ethanamine
CID 103085887
N-(1-methoxypropan-2-yl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574347
N-(2-methoxyethyl)-1-[1-(thian-4-yl)tetrazol-5-yl]ethanamine
CID 103087012
1-[1-[2-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 106043176

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-[1-[2-(3-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine?
The IUPAC name of N-(2-methoxyethyl)-1-[1-[2-(3-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine (CID 103086270) is N-(2-methoxyethyl)-1-[1-[2-(3-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-1-[1-[2-(3-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-1-[1-[2-(3-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine is COCCNC(C)c1nnnn1CCC1CCCC(C)C1.
What is the InChIKey of N-(2-methoxyethyl)-1-[1-[2-(3-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine?
The InChIKey is ACPBSDIGYYLBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-12-5-4-6-14(11-12)7-9-20-15(17-18-19-20)13(2)16-8-10-21-3/h12-14,16H,4-11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-1-[1-[2-(3-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine?
N-(2-methoxyethyl)-1-[1-[2-(3-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine has a molecular weight of 295.43 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[1-[2-(3-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103086270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).