1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol

C15H31NO2 — CID 103600432

IUPAC1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol
SMILESCCCCC(CC)CNCC(O)COCC1CC1
InChIInChI=1S/C15H31NO2/c1-3-5-6-13(4-2)9-16-10-15(17)12-18-11-14-7-8-14/h13-17H,3-12H2,1-2H3
InChIKeyCJQVYVKTRSHXCD-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.58
Rot. Bonds12

About 1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol

1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol (PubChem CID 103600432) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol
PubChem CID103600432
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol
SMILESCCCCC(CC)CNCC(O)COCC1CC1
InChIInChI=1S/C15H31NO2/c1-3-5-6-13(4-2)9-16-10-15(17)12-18-11-14-7-8-14/h13-17H,3-12H2,1-2H3
InChIKeyCJQVYVKTRSHXCD-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 114004592
1-(2-ethylhexylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 103600453
1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol
CID 115591833
3-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66004855
1-(2-ethylhexoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 61039364
N-[(4-chlorocyclohexyl)methyl]-2-ethylhexan-1-amine
CID 106123390
1-(2-ethylhexylamino)-4,4-dimethylpentan-2-ol
CID 107152038
1-(cyclohexylmethoxy)-3-(propylamino)propan-2-ol
CID 62382060
1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102698045
1-(cyclopropylmethoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633025
1-(oxan-4-ylmethoxy)-3-(propylamino)propan-2-ol
CID 62382435
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol (CID 103600432) is 1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol is CCCCC(CC)CNCC(O)COCC1CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol?
The InChIKey is CJQVYVKTRSHXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-3-5-6-13(4-2)9-16-10-15(17)12-18-11-14-7-8-14/h13-17H,3-12H2,1-2H3.
What are the key properties of 1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol?
1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol has a molecular weight of 257.42 g/mol, XLogP of 2.58, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol is sourced from PubChem (CID 103600432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).