1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol

C17H35NO2 — CID 115591833

IUPAC1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol
SMILESCCCCC(CC)COCC(O)CNCC(C)C1CC1
InChIInChI=1S/C17H35NO2/c1-4-6-7-15(5-2)12-20-13-17(19)11-18-10-14(3)16-8-9-16/h14-19H,4-13H2,1-3H3
InChIKeyLAEIGCNVLJQQLV-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.22
Rot. Bonds13

About 1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol

1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol (PubChem CID 115591833) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol
PubChem CID115591833
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol
SMILESCCCCC(CC)COCC(O)CNCC(C)C1CC1
InChIInChI=1S/C17H35NO2/c1-4-6-7-15(5-2)12-20-13-17(19)11-18-10-14(3)16-8-9-16/h14-19H,4-13H2,1-3H3
InChIKeyLAEIGCNVLJQQLV-UHFFFAOYSA-N
XLogP3.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102698045
3-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66004855
1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol
CID 103600432
1-(2-ethylhexoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 61039364
1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463680
methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate
CID 60902673
CID 88753128
CID 88753128
1-(2-cyclopropylpropylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 113226892
1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol
CID 60633202
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464333
4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide
CID 60909126
1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol
CID 106293040

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol?
The IUPAC name of 1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol (CID 115591833) is 1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol.
What is the SMILES notation for 1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol?
The canonical SMILES for 1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol is CCCCC(CC)COCC(O)CNCC(C)C1CC1.
What is the InChIKey of 1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol?
The InChIKey is LAEIGCNVLJQQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-4-6-7-15(5-2)12-20-13-17(19)11-18-10-14(3)16-8-9-16/h14-19H,4-13H2,1-3H3.
What are the key properties of 1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol?
1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol has a molecular weight of 285.47 g/mol, XLogP of 3.22, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol is sourced from PubChem (CID 115591833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).