3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol

C11H26N2O — CID 64900540

IUPAC3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol
SMILESCCNC(CCO)CN(C)CC(C)C
InChIInChI=1S/C11H26N2O/c1-5-12-11(6-7-14)9-13(4)8-10(2)3/h10-12,14H,5-9H2,1-4H3
InChIKeySEMBKQRMXLTBJN-UHFFFAOYSA-N
MW202.34 g/mol
LogP0.93
Rot. Bonds8

About 3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol

3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol (PubChem CID 64900540) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol
PubChem CID64900540
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol
SMILESCCNC(CCO)CN(C)CC(C)C
InChIInChI=1S/C11H26N2O/c1-5-12-11(6-7-14)9-13(4)8-10(2)3/h10-12,14H,5-9H2,1-4H3
InChIKeySEMBKQRMXLTBJN-UHFFFAOYSA-N
XLogP0.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-Hydroxybutan-2-ylamino)ethylamino]butan-1-ol
CID 469990
2-(1-Methylpiperazin-2-yl)ethanol
CID 6484682
3-Amino-4-(dimethylamino)-1-butanol
CID 21896813
2-(2-Diethylaminoethylamino)butan-1-ol
CID 469919
2-[Ethyl-[2-(isopropylamino)ethyl]amino]butan-1-ol
CID 469924
[3-(Dimethylamino)piperidin-4-YL]methanol
CID 86820533
Hydroxyethyl(piperazinylethane)
CID 20069573
(S)-2-(4-Methylpiperazin-2-yl)ethan-1-ol
CID 51898080
3-Amino-2-[(isobutylamino)methyl]butan-1-ol
CID 168301758
3-(Methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol
CID 64898162
3-(Ethylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol
CID 64898163
4-[Methyl(2,2,2-trifluoroethyl)amino]-3-(propylamino)butan-1-ol
CID 64898164

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol?
The IUPAC name of 3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol (CID 64900540) is 3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol.
What is the SMILES notation for 3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol?
The canonical SMILES for 3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol is CCNC(CCO)CN(C)CC(C)C.
What is the InChIKey of 3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol?
The InChIKey is SEMBKQRMXLTBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-5-12-11(6-7-14)9-13(4)8-10(2)3/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol?
3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol has a molecular weight of 202.34 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol is sourced from PubChem (CID 64900540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).