3-[[methyl(3-methylbutyl)amino]methyl]pentan-3-ol

C12H27NO — CID 115919417

IUPAC3-[[methyl(3-methylbutyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN(C)CCC(C)C
InChIInChI=1S/C12H27NO/c1-6-12(14,7-2)10-13(5)9-8-11(3)4/h11,14H,6-10H2,1-5H3
InChIKeyXCLHPEBKTGGPHT-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.52
Rot. Bonds7

About 3-[[methyl(3-methylbutyl)amino]methyl]pentan-3-ol

3-[[methyl(3-methylbutyl)amino]methyl]pentan-3-ol (PubChem CID 115919417) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 3-[[methyl(3-methylbutyl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[methyl(3-methylbutyl)amino]methyl]pentan-3-ol
PubChem CID115919417
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name3-[[methyl(3-methylbutyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN(C)CCC(C)C
InChIInChI=1S/C12H27NO/c1-6-12(14,7-2)10-13(5)9-8-11(3)4/h11,14H,6-10H2,1-5H3
InChIKeyXCLHPEBKTGGPHT-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pentan-3-ol
CID 114496644
3-[[bis(3-methylbutyl)amino]methyl]pentan-3-ol
CID 107870720
3-[[methyl(propyl)amino]methyl]pentan-3-ol
CID 115927293
N,2,2-triethyl-N'-methyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 55056500
ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol
CID 55068898
2-(ethylamino)-2-methyl-3-[methyl(3-methylbutyl)amino]propan-1-ol
CID 64826613
3-bromo-N,2,2-trimethyl-N-(3-methylbutyl)propan-1-amine
CID 64999998
1-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propan-2-ol
CID 64818466
N,3-dimethyl-N-propylbutan-1-amine;ethane
CID 143004983
N-tert-butyl-N',2,2-trimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 62260568
propane;N,N,3-trimethylbutan-1-amine
CID 144828505

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(3-methylbutyl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[methyl(3-methylbutyl)amino]methyl]pentan-3-ol (CID 115919417) is 3-[[methyl(3-methylbutyl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[methyl(3-methylbutyl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[methyl(3-methylbutyl)amino]methyl]pentan-3-ol is CCC(O)(CC)CN(C)CCC(C)C.
What is the InChIKey of 3-[[methyl(3-methylbutyl)amino]methyl]pentan-3-ol?
The InChIKey is XCLHPEBKTGGPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-12(14,7-2)10-13(5)9-8-11(3)4/h11,14H,6-10H2,1-5H3.
What are the key properties of 3-[[methyl(3-methylbutyl)amino]methyl]pentan-3-ol?
3-[[methyl(3-methylbutyl)amino]methyl]pentan-3-ol has a molecular weight of 201.35 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(3-methylbutyl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 115919417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).