N-[(1-ethoxy-3-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine

C16H30N4O — CID 114689341

IUPACN-[(1-ethoxy-3-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnnn1C)C1(OCC)CCCC(C)C1
InChIInChI=1S/C16H30N4O/c1-5-10-17-15(14-12-18-19-20(14)4)16(21-6-2)9-7-8-13(3)11-16/h12-13,15,17H,5-11H2,1-4H3
InChIKeyRUMNTPABWPVEGI-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.84
Rot. Bonds7

About N-[(1-ethoxy-3-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine

N-[(1-ethoxy-3-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 114689341) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[(1-ethoxy-3-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethoxy-3-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
PubChem CID114689341
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-[(1-ethoxy-3-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnnn1C)C1(OCC)CCCC(C)C1
InChIInChI=1S/C16H30N4O/c1-5-10-17-15(14-12-18-19-20(14)4)16(21-6-2)9-7-8-13(3)11-16/h12-13,15,17H,5-11H2,1-4H3
InChIKeyRUMNTPABWPVEGI-UHFFFAOYSA-N
XLogP2.84
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 114689332
N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114689357
N-[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 106463034
(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol
CID 114686834
(1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol
CID 116755312
1-(1-ethoxy-3-methylcyclohexyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 116767958
N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687199
N-[(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 116768503
[(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105277741
[(1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105270277
1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 114687206
1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116768316

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxy-3-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-ethoxy-3-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine (CID 114689341) is N-[(1-ethoxy-3-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-ethoxy-3-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-ethoxy-3-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine is CCCNC(c1cnnn1C)C1(OCC)CCCC(C)C1.
What is the InChIKey of N-[(1-ethoxy-3-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is RUMNTPABWPVEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-5-10-17-15(14-12-18-19-20(14)4)16(21-6-2)9-7-8-13(3)11-16/h12-13,15,17H,5-11H2,1-4H3.
What are the key properties of N-[(1-ethoxy-3-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine?
N-[(1-ethoxy-3-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxy-3-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 114689341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).