1-(1-methoxycyclohexyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine

C17H31N3O — CID 114530787

IUPAC1-(1-methoxycyclohexyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1nccn1C)C1(OC)CCCCC1
InChIInChI=1S/C17H31N3O/c1-4-12-18-15(8-9-16-19-13-14-20(16)2)17(21-3)10-6-5-7-11-17/h13-15,18H,4-12H2,1-3H3
InChIKeyNRKDCAAKLDCLBD-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.07
Rot. Bonds8

About 1-(1-methoxycyclohexyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine

1-(1-methoxycyclohexyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine (PubChem CID 114530787) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(1-methoxycyclohexyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(1-methoxycyclohexyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
PubChem CID114530787
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name1-(1-methoxycyclohexyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1nccn1C)C1(OC)CCCCC1
InChIInChI=1S/C17H31N3O/c1-4-12-18-15(8-9-16-19-13-14-20(16)2)17(21-3)10-6-5-7-11-17/h13-15,18H,4-12H2,1-3H3
InChIKeyNRKDCAAKLDCLBD-UHFFFAOYSA-N
XLogP3.07
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-methoxycyclobutyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105270412
1-(4-methoxyoxan-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530792
1-(1-ethoxycycloheptyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529884
1-(1-methoxycycloheptyl)-5-methyl-N-propylhexan-1-amine
CID 116770521
N-[1-(1-methoxycycloheptyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 116770459
1,1,1-trifluoro-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine
CID 105049992
N-[1-(1-ethoxycyclopentyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 116762441
1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine
CID 114530277
N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine
CID 114531428
1-(1-methoxycyclopentyl)-2-(1-propylimidazol-2-yl)ethanol
CID 104610436
1-(1-methylimidazol-2-yl)-N-propyl-5-pyridin-4-ylpentan-3-amine
CID 105187730
[1-(1-methoxycyclopentyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103027056

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclohexyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(1-methoxycyclohexyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine (CID 114530787) is 1-(1-methoxycyclohexyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(1-methoxycyclohexyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(1-methoxycyclohexyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine is CCCNC(CCc1nccn1C)C1(OC)CCCCC1.
What is the InChIKey of 1-(1-methoxycyclohexyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
The InChIKey is NRKDCAAKLDCLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-12-18-15(8-9-16-19-13-14-20(16)2)17(21-3)10-6-5-7-11-17/h13-15,18H,4-12H2,1-3H3.
What are the key properties of 1-(1-methoxycyclohexyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
1-(1-methoxycyclohexyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclohexyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 114530787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).