2-methyl-4-[methyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butan-1-ol

C14H32N2O — CID 64795544

IUPAC2-methyl-4-[methyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butan-1-ol
SMILESCCC(CC)N(C)CCC(C)(CO)NC(C)C
InChIInChI=1S/C14H32N2O/c1-7-13(8-2)16(6)10-9-14(5,11-17)15-12(3)4/h12-13,15,17H,7-11H2,1-6H3
InChIKeyMEASKGJLZRJGNW-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.25
Rot. Bonds9

About 2-methyl-4-[methyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butan-1-ol

2-methyl-4-[methyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64795544) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 2-methyl-4-[methyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name2-methyl-4-[methyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butan-1-ol
PubChem CID64795544
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name2-methyl-4-[methyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butan-1-ol
SMILESCCC(CC)N(C)CCC(C)(CO)NC(C)C
InChIInChI=1S/C14H32N2O/c1-7-13(8-2)16(6)10-9-14(5,11-17)15-12(3)4/h12-13,15,17H,7-11H2,1-6H3
InChIKeyMEASKGJLZRJGNW-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825186
4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64792219
2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)butan-1-ol
CID 64826225
4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825293
6-[1-methoxypropan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64826309
4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825168
4-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64787804
2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 79490308
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825256
5-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64797279
5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64828176
2-methyl-2-(propan-2-ylamino)-6-[propan-2-yl(propyl)amino]hexan-1-ol
CID 64797449

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 2-methyl-4-[methyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butan-1-ol (CID 64795544) is 2-methyl-4-[methyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 2-methyl-4-[methyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 2-methyl-4-[methyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butan-1-ol is CCC(CC)N(C)CCC(C)(CO)NC(C)C.
What is the InChIKey of 2-methyl-4-[methyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is MEASKGJLZRJGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-7-13(8-2)16(6)10-9-14(5,11-17)15-12(3)4/h12-13,15,17H,7-11H2,1-6H3.
What are the key properties of 2-methyl-4-[methyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butan-1-ol?
2-methyl-4-[methyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 244.42 g/mol, XLogP of 2.25, 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(pentan-3-yl)amino]-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64795544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).