[1-[(2-methyltetrazol-5-yl)methoxy]-4-propan-2-ylcyclohexyl]methanamine

C13H25N5O — CID 107040804

IUPAC[1-[(2-methyltetrazol-5-yl)methoxy]-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(OCc2nnn(C)n2)CC1
InChIInChI=1S/C13H25N5O/c1-10(2)11-4-6-13(9-14,7-5-11)19-8-12-15-17-18(3)16-12/h10-11H,4-9,14H2,1-3H3
InChIKeyQFQGTVCBHLXMPD-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.27
Rot. Bonds5

About [1-[(2-methyltetrazol-5-yl)methoxy]-4-propan-2-ylcyclohexyl]methanamine

[1-[(2-methyltetrazol-5-yl)methoxy]-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 107040804) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is [1-[(2-methyltetrazol-5-yl)methoxy]-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(2-methyltetrazol-5-yl)methoxy]-4-propan-2-ylcyclohexyl]methanamine
PubChem CID107040804
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name[1-[(2-methyltetrazol-5-yl)methoxy]-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(OCc2nnn(C)n2)CC1
InChIInChI=1S/C13H25N5O/c1-10(2)11-4-6-13(9-14,7-5-11)19-8-12-15-17-18(3)16-12/h10-11H,4-9,14H2,1-3H3
InChIKeyQFQGTVCBHLXMPD-UHFFFAOYSA-N
XLogP1.27
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyltetrazol-5-yl)methoxy]-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [1-[(2-methyltetrazol-5-yl)methoxy]-4-propan-2-ylcyclohexyl]methanamine (CID 107040804) is [1-[(2-methyltetrazol-5-yl)methoxy]-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(2-methyltetrazol-5-yl)methoxy]-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [1-[(2-methyltetrazol-5-yl)methoxy]-4-propan-2-ylcyclohexyl]methanamine is CC(C)C1CCC(CN)(OCc2nnn(C)n2)CC1.
What is the InChIKey of [1-[(2-methyltetrazol-5-yl)methoxy]-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is QFQGTVCBHLXMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-10(2)11-4-6-13(9-14,7-5-11)19-8-12-15-17-18(3)16-12/h10-11H,4-9,14H2,1-3H3.
What are the key properties of [1-[(2-methyltetrazol-5-yl)methoxy]-4-propan-2-ylcyclohexyl]methanamine?
[1-[(2-methyltetrazol-5-yl)methoxy]-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 267.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methyltetrazol-5-yl)methoxy]-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 107040804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).