4-[ethyl(oxolan-2-ylmethyl)amino]-3-(methylamino)butan-1-ol

C12H26N2O2 — CID 64899466

IUPAC4-[ethyl(oxolan-2-ylmethyl)amino]-3-(methylamino)butan-1-ol
SMILESCCN(CC(CCO)NC)CC1CCCO1
InChIInChI=1S/C12H26N2O2/c1-3-14(9-11(13-2)6-7-15)10-12-5-4-8-16-12/h11-13,15H,3-10H2,1-2H3
InChIKeyFPUCDUDARSISQW-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.46
Rot. Bonds8

About 4-[ethyl(oxolan-2-ylmethyl)amino]-3-(methylamino)butan-1-ol

4-[ethyl(oxolan-2-ylmethyl)amino]-3-(methylamino)butan-1-ol (PubChem CID 64899466) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-[ethyl(oxolan-2-ylmethyl)amino]-3-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-[ethyl(oxolan-2-ylmethyl)amino]-3-(methylamino)butan-1-ol
PubChem CID64899466
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name4-[ethyl(oxolan-2-ylmethyl)amino]-3-(methylamino)butan-1-ol
SMILESCCN(CC(CCO)NC)CC1CCCO1
InChIInChI=1S/C12H26N2O2/c1-3-14(9-11(13-2)6-7-15)10-12-5-4-8-16-12/h11-13,15H,3-10H2,1-2H3
InChIKeyFPUCDUDARSISQW-UHFFFAOYSA-N
XLogP0.46
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-2-[ethyl(oxolan-2-ylmethyl)amino]ethanol
CID 104752617
2-acetamido-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 64582510
2-cyclopropyl-3-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64827702
1-cyclopropyl-N'-ethyl-N'-(oxolan-2-ylmethyl)-N-propylethane-1,2-diamine
CID 63914317
N'-ethyl-N-methyl-N'-(oxolan-2-ylmethyl)-1-phenylpropane-1,3-diamine
CID 62612291
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62638434
4-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)butanenitrile
CID 63027338
N',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 81079200
3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64826914
N'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine
CID 61433987
2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butan-1-ol
CID 64825351
N-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62554036

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(oxolan-2-ylmethyl)amino]-3-(methylamino)butan-1-ol?
The IUPAC name of 4-[ethyl(oxolan-2-ylmethyl)amino]-3-(methylamino)butan-1-ol (CID 64899466) is 4-[ethyl(oxolan-2-ylmethyl)amino]-3-(methylamino)butan-1-ol.
What is the SMILES notation for 4-[ethyl(oxolan-2-ylmethyl)amino]-3-(methylamino)butan-1-ol?
The canonical SMILES for 4-[ethyl(oxolan-2-ylmethyl)amino]-3-(methylamino)butan-1-ol is CCN(CC(CCO)NC)CC1CCCO1.
What is the InChIKey of 4-[ethyl(oxolan-2-ylmethyl)amino]-3-(methylamino)butan-1-ol?
The InChIKey is FPUCDUDARSISQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-14(9-11(13-2)6-7-15)10-12-5-4-8-16-12/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 4-[ethyl(oxolan-2-ylmethyl)amino]-3-(methylamino)butan-1-ol?
4-[ethyl(oxolan-2-ylmethyl)amino]-3-(methylamino)butan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(oxolan-2-ylmethyl)amino]-3-(methylamino)butan-1-ol is sourced from PubChem (CID 64899466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).