1-(butan-2-ylamino)-3-(diethylamino)propan-2-ol

C11H26N2O — CID 60710637

IUPAC1-(butan-2-ylamino)-3-(diethylamino)propan-2-ol
SMILESCCC(C)NCC(O)CN(CC)CC
InChIInChI=1S/C11H26N2O/c1-5-10(4)12-8-11(14)9-13(6-2)7-3/h10-12,14H,5-9H2,1-4H3
InChIKeyZLWZMSMCTFQDRQ-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.08
Rot. Bonds8

About 1-(butan-2-ylamino)-3-(diethylamino)propan-2-ol

1-(butan-2-ylamino)-3-(diethylamino)propan-2-ol (PubChem CID 60710637) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-3-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(butan-2-ylamino)-3-(diethylamino)propan-2-ol
PubChem CID60710637
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name1-(butan-2-ylamino)-3-(diethylamino)propan-2-ol
SMILESCCC(C)NCC(O)CN(CC)CC
InChIInChI=1S/C11H26N2O/c1-5-10(4)12-8-11(14)9-13(6-2)7-3/h10-12,14H,5-9H2,1-4H3
InChIKeyZLWZMSMCTFQDRQ-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol
CID 106932045
(2S)-3-(butan-2-ylamino)propane-1,2-diol
CID 61149708
1-(diethylamino)-3-(4-phenylbutan-2-ylamino)propan-2-ol
CID 60710732
2-[[3-(diethylamino)-2-hydroxypropyl]amino]-N,N-dimethylpropanamide
CID 54950828
1-(butan-2-ylamino)pentan-2-ol
CID 21435603
1-(diethylamino)-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol
CID 54958866
1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol
CID 115474899
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-(diethylamino)propan-2-ol
CID 60710698
1-[[(1R)-1-(2-bromophenyl)ethyl]amino]-3-(diethylamino)propan-2-ol
CID 81383192
1-(diethylamino)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 54952800
1-(diethylamino)-3-[[(1S)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
CID 81361333
1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62641033

Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)-3-(diethylamino)propan-2-ol?
The IUPAC name of 1-(butan-2-ylamino)-3-(diethylamino)propan-2-ol (CID 60710637) is 1-(butan-2-ylamino)-3-(diethylamino)propan-2-ol.
What is the SMILES notation for 1-(butan-2-ylamino)-3-(diethylamino)propan-2-ol?
The canonical SMILES for 1-(butan-2-ylamino)-3-(diethylamino)propan-2-ol is CCC(C)NCC(O)CN(CC)CC.
What is the InChIKey of 1-(butan-2-ylamino)-3-(diethylamino)propan-2-ol?
The InChIKey is ZLWZMSMCTFQDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-5-10(4)12-8-11(14)9-13(6-2)7-3/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 1-(butan-2-ylamino)-3-(diethylamino)propan-2-ol?
1-(butan-2-ylamino)-3-(diethylamino)propan-2-ol has a molecular weight of 202.34 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylamino)-3-(diethylamino)propan-2-ol is sourced from PubChem (CID 60710637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).