1-[(2-methoxycyclopentyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol

C16H31NO3 — CID 62088574

IUPAC1-[(2-methoxycyclopentyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
SMILESCOC1CCCC1NCC(O)COC1CCC(C)CC1
InChIInChI=1S/C16H31NO3/c1-12-6-8-14(9-7-12)20-11-13(18)10-17-15-4-3-5-16(15)19-2/h12-18H,3-11H2,1-2H3
InChIKeyLKOLEAHDAKFFJL-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.10
Rot. Bonds7

About 1-[(2-methoxycyclopentyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol

1-[(2-methoxycyclopentyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol (PubChem CID 62088574) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-[(2-methoxycyclopentyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-[(2-methoxycyclopentyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
PubChem CID62088574
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name1-[(2-methoxycyclopentyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
SMILESCOC1CCCC1NCC(O)COC1CCC(C)CC1
InChIInChI=1S/C16H31NO3/c1-12-6-8-14(9-7-12)20-11-13(18)10-17-15-4-3-5-16(15)19-2/h12-18H,3-11H2,1-2H3
InChIKeyLKOLEAHDAKFFJL-UHFFFAOYSA-N
XLogP2.10
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]cyclohexan-1-ol
CID 62358746
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
1-(cyclopropylmethoxy)-3-[(2-methoxycyclopentyl)amino]propan-2-ol
CID 62086788
1-cyclohexyloxy-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63278409
cis-(1S,2R)-2-methoxy-N-(2-methylpropyl)cyclopentan-1-amine
CID 176752788
(2R)-1-[(2-methoxycyclopentyl)amino]propan-2-ol
CID 106932046
1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 114545713
1-[(2-methoxycyclopentyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 62088573
1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol
CID 107152434
1-(diethylamino)-3-[(2-methoxycyclopentyl)amino]propan-2-ol
CID 55033366
1-(2-methoxyethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60632831
1-(2-ethylcyclohexyl)oxy-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63281525

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxycyclopentyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-[(2-methoxycyclopentyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol (CID 62088574) is 1-[(2-methoxycyclopentyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-[(2-methoxycyclopentyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-[(2-methoxycyclopentyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol is COC1CCCC1NCC(O)COC1CCC(C)CC1.
What is the InChIKey of 1-[(2-methoxycyclopentyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is LKOLEAHDAKFFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-12-6-8-14(9-7-12)20-11-13(18)10-17-15-4-3-5-16(15)19-2/h12-18H,3-11H2,1-2H3.
What are the key properties of 1-[(2-methoxycyclopentyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol?
1-[(2-methoxycyclopentyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 285.43 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxycyclopentyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 62088574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).