1-[bis(2-methylpropyl)amino]-3-(dibutylamino)propan-2-ol;tetrahydrochloride

C19H46Cl4N2O — CID 3040181

IUPAC1-[bis(2-methylpropyl)amino]-3-(dibutylamino)propan-2-ol;tetrahydrochloride
SMILESCCCCN(CCCC)CC(O)CN(CC(C)C)CC(C)C.Cl.Cl.Cl.Cl
InChIInChI=1S/C19H42N2O.4ClH/c1-7-9-11-20(12-10-8-2)15-19(22)16-21(13-17(3)4)14-18(5)6;;;;/h17-19,22H,7-16H2,1-6H3;4*1H
InChIKeyDXRPUUHVILEHMJ-UHFFFAOYSA-N
MW460.40 g/mol
LogP5.55
Rot. Bonds14

About 1-[bis(2-methylpropyl)amino]-3-(dibutylamino)propan-2-ol;tetrahydrochloride

1-[bis(2-methylpropyl)amino]-3-(dibutylamino)propan-2-ol;tetrahydrochloride (PubChem CID 3040181) has the molecular formula C19H46Cl4N2O and a molecular weight of 460.40 g/mol. Its IUPAC name is 1-[bis(2-methylpropyl)amino]-3-(dibutylamino)propan-2-ol;tetrahydrochloride.

Molecular Properties

Compound Name1-[bis(2-methylpropyl)amino]-3-(dibutylamino)propan-2-ol;tetrahydrochloride
PubChem CID3040181
Molecular FormulaC19H46Cl4N2O
Molecular Weight460.40 g/mol
Exact Mass458.24
IUPAC Name1-[bis(2-methylpropyl)amino]-3-(dibutylamino)propan-2-ol;tetrahydrochloride
SMILESCCCCN(CCCC)CC(O)CN(CC(C)C)CC(C)C.Cl.Cl.Cl.Cl
InChIInChI=1S/C19H42N2O.4ClH/c1-7-9-11-20(12-10-8-2)15-19(22)16-21(13-17(3)4)14-18(5)6;;;;/h17-19,22H,7-16H2,1-6H3;4*1H
InChIKeyDXRPUUHVILEHMJ-UHFFFAOYSA-N
XLogP5.55
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.40
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 58574228
N-hexyl-N-(2-methylpropyl)hexan-1-amine
CID 54055603
N-heptyl-N-(2-methylpropyl)octan-1-amine
CID 6425714
1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol
CID 3040153
1-(dibutylamino)undecan-2-ol
CID 101275149
1-(dipentylamino)butan-2-ol
CID 21496903
N,N-bis(2-methylpropyl)dodecan-1-amine
CID 14389650
N,N-bis(2-methylpropyl)octan-1-amine
CID 3790364
N,N-bis(2-methylpropyl)decan-1-amine
CID 11265686
1-[butyl(ethyl)amino]butan-2-ol
CID 60885925
1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol
CID 139686343
3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917226

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methylpropyl)amino]-3-(dibutylamino)propan-2-ol;tetrahydrochloride?
The IUPAC name of 1-[bis(2-methylpropyl)amino]-3-(dibutylamino)propan-2-ol;tetrahydrochloride (CID 3040181) is 1-[bis(2-methylpropyl)amino]-3-(dibutylamino)propan-2-ol;tetrahydrochloride.
What is the SMILES notation for 1-[bis(2-methylpropyl)amino]-3-(dibutylamino)propan-2-ol;tetrahydrochloride?
The canonical SMILES for 1-[bis(2-methylpropyl)amino]-3-(dibutylamino)propan-2-ol;tetrahydrochloride is CCCCN(CCCC)CC(O)CN(CC(C)C)CC(C)C.Cl.Cl.Cl.Cl.
What is the InChIKey of 1-[bis(2-methylpropyl)amino]-3-(dibutylamino)propan-2-ol;tetrahydrochloride?
The InChIKey is DXRPUUHVILEHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2O.4ClH/c1-7-9-11-20(12-10-8-2)15-19(22)16-21(13-17(3)4)14-18(5)6;;;;/h17-19,22H,7-16H2,1-6H3;4*1H.
What are the key properties of 1-[bis(2-methylpropyl)amino]-3-(dibutylamino)propan-2-ol;tetrahydrochloride?
1-[bis(2-methylpropyl)amino]-3-(dibutylamino)propan-2-ol;tetrahydrochloride has a molecular weight of 460.40 g/mol, XLogP of 5.55, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methylpropyl)amino]-3-(dibutylamino)propan-2-ol;tetrahydrochloride is sourced from PubChem (CID 3040181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).