2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol

C15H34N2O — CID 64792229

IUPAC2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)N(C)C(C)(C)CC
InChIInChI=1S/C15H34N2O/c1-8-10-16-15(6,12-18)11-13(3)17(7)14(4,5)9-2/h13,16,18H,8-12H2,1-7H3
InChIKeyLLGSFPLKYVNORQ-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.64
Rot. Bonds9

About 2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol

2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol (PubChem CID 64792229) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is 2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol
PubChem CID64792229
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC Name2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)N(C)C(C)(C)CC
InChIInChI=1S/C15H34N2O/c1-8-10-16-15(6,12-18)11-13(3)17(7)14(4,5)9-2/h13,16,18H,8-12H2,1-7H3
InChIKeyLLGSFPLKYVNORQ-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)pentan-1-ol
CID 64827999
2-methyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol
CID 64798662
4-butylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64821262
3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64827091
3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propylamino)propan-1-ol
CID 103192144
2-methyl-3-(2-methylpropylsulfanyl)-2-(propylamino)propan-1-ol
CID 64819020
2-methyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentan-1-ol
CID 64796336
4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64806975
3-[ethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64795479
2-methyl-3-propan-2-yloxy-2-(propylamino)propan-1-ol
CID 64804252
2-(ethylamino)-4-[ethyl(methyl)amino]-2-methylpentan-1-ol
CID 64797008
4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790376

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol?
The IUPAC name of 2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol (CID 64792229) is 2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CC(C)N(C)C(C)(C)CC.
What is the InChIKey of 2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol?
The InChIKey is LLGSFPLKYVNORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O/c1-8-10-16-15(6,12-18)11-13(3)17(7)14(4,5)9-2/h13,16,18H,8-12H2,1-7H3.
What are the key properties of 2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol?
2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol has a molecular weight of 258.45 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64792229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).