3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propylamino)propan-1-ol

C14H30N2O2 — CID 64826914

IUPAC3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)CN(CC)CC1CCCO1
InChIInChI=1S/C14H30N2O2/c1-4-8-15-14(3,12-17)11-16(5-2)10-13-7-6-9-18-13/h13,15,17H,4-12H2,1-3H3
InChIKeyHIFRSLSMLPZYJQ-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.24
Rot. Bonds9

About 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propylamino)propan-1-ol

3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propylamino)propan-1-ol (PubChem CID 64826914) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propylamino)propan-1-ol
PubChem CID64826914
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)CN(CC)CC1CCCO1
InChIInChI=1S/C14H30N2O2/c1-4-8-15-14(3,12-17)11-16(5-2)10-13-7-6-9-18-13/h13,15,17H,4-12H2,1-3H3
InChIKeyHIFRSLSMLPZYJQ-UHFFFAOYSA-N
XLogP1.24
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,2,2-triethyl-N-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 62257104
2-cyclopropyl-3-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64827702
3-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64798088
3-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64826426
2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 63909372
3-[cyclopropylmethyl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64825469
2-methyl-2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol
CID 115927323
1-cyclopropyl-N'-ethyl-N'-(oxolan-2-ylmethyl)-N-propylethane-1,2-diamine
CID 63914317
2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]propanenitrile
CID 63914205
1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine
CID 124860098
2-cyclopropyl-3-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propanamide
CID 63909966
1-cyclopentyl-2-[ethyl(oxolan-2-ylmethyl)amino]ethanol
CID 104752617

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propylamino)propan-1-ol?
The IUPAC name of 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propylamino)propan-1-ol (CID 64826914) is 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propylamino)propan-1-ol is CCCNC(C)(CO)CN(CC)CC1CCCO1.
What is the InChIKey of 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propylamino)propan-1-ol?
The InChIKey is HIFRSLSMLPZYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-4-8-15-14(3,12-17)11-16(5-2)10-13-7-6-9-18-13/h13,15,17H,4-12H2,1-3H3.
What are the key properties of 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propylamino)propan-1-ol?
3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propylamino)propan-1-ol has a molecular weight of 258.41 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64826914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).