[1-[(1-methyltriazol-4-yl)methoxy]-4-propylcyclohexyl]methanamine

C14H26N4O — CID 107040801

IUPAC[1-[(1-methyltriazol-4-yl)methoxy]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCc2cn(C)nn2)CC1
InChIInChI=1S/C14H26N4O/c1-3-4-12-5-7-14(11-15,8-6-12)19-10-13-9-18(2)17-16-13/h9,12H,3-8,10-11,15H2,1-2H3
InChIKeyHPAISRVDGPHGFT-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.02
Rot. Bonds6

About [1-[(1-methyltriazol-4-yl)methoxy]-4-propylcyclohexyl]methanamine

[1-[(1-methyltriazol-4-yl)methoxy]-4-propylcyclohexyl]methanamine (PubChem CID 107040801) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is [1-[(1-methyltriazol-4-yl)methoxy]-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(1-methyltriazol-4-yl)methoxy]-4-propylcyclohexyl]methanamine
PubChem CID107040801
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name[1-[(1-methyltriazol-4-yl)methoxy]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCc2cn(C)nn2)CC1
InChIInChI=1S/C14H26N4O/c1-3-4-12-5-7-14(11-15,8-6-12)19-10-13-9-18(2)17-16-13/h9,12H,3-8,10-11,15H2,1-2H3
InChIKeyHPAISRVDGPHGFT-UHFFFAOYSA-N
XLogP2.02
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-methyltriazol-4-yl)methoxy]-4-propylcyclohexyl]methanamine?
The IUPAC name of [1-[(1-methyltriazol-4-yl)methoxy]-4-propylcyclohexyl]methanamine (CID 107040801) is [1-[(1-methyltriazol-4-yl)methoxy]-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(1-methyltriazol-4-yl)methoxy]-4-propylcyclohexyl]methanamine?
The canonical SMILES for [1-[(1-methyltriazol-4-yl)methoxy]-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)(OCc2cn(C)nn2)CC1.
What is the InChIKey of [1-[(1-methyltriazol-4-yl)methoxy]-4-propylcyclohexyl]methanamine?
The InChIKey is HPAISRVDGPHGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-3-4-12-5-7-14(11-15,8-6-12)19-10-13-9-18(2)17-16-13/h9,12H,3-8,10-11,15H2,1-2H3.
What are the key properties of [1-[(1-methyltriazol-4-yl)methoxy]-4-propylcyclohexyl]methanamine?
[1-[(1-methyltriazol-4-yl)methoxy]-4-propylcyclohexyl]methanamine has a molecular weight of 266.39 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methyltriazol-4-yl)methoxy]-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 107040801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).