2-[(dimethylamino)methyl]-4-methyl-2-propan-2-ylpentan-1-ol

C12H27NO — CID 139652444

IUPAC2-[(dimethylamino)methyl]-4-methyl-2-propan-2-ylpentan-1-ol
SMILESCC(C)CC(CO)(CN(C)C)C(C)C
InChIInChI=1S/C12H27NO/c1-10(2)7-12(9-14,11(3)4)8-13(5)6/h10-11,14H,7-9H2,1-6H3
InChIKeyVZIHGLIHRJKBTQ-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.23
Rot. Bonds6

About 2-[(dimethylamino)methyl]-4-methyl-2-propan-2-ylpentan-1-ol

2-[(dimethylamino)methyl]-4-methyl-2-propan-2-ylpentan-1-ol (PubChem CID 139652444) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-methyl-2-propan-2-ylpentan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-methyl-2-propan-2-ylpentan-1-ol
PubChem CID139652444
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-[(dimethylamino)methyl]-4-methyl-2-propan-2-ylpentan-1-ol
SMILESCC(C)CC(CO)(CN(C)C)C(C)C
InChIInChI=1S/C12H27NO/c1-10(2)7-12(9-14,11(3)4)8-13(5)6/h10-11,14H,7-9H2,1-6H3
InChIKeyVZIHGLIHRJKBTQ-UHFFFAOYSA-N
XLogP2.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[hydroxymethyl(methyl)amino]-2-(2-methylpropyl)propane-1,3-diol
CID 170174292
(2S,3S)-3-(difluoromethyl)-2-[(dimethylamino)methyl]-2-propylpentan-1-ol
CID 177009944
2-propan-2-yl-2-(trimethylsilylmethyl)propane-1,3-diol
CID 106324281
2-(methoxymethyl)-N,N-dimethyl-2-propan-2-ylpentan-1-amine
CID 139968966
N,N-diethyl-2-(methoxymethyl)-4-methyl-2-propan-2-ylpentan-1-amine
CID 139968885
4-[(dimethylamino)methyl]-2,4-dimethylhexan-1-ol
CID 89276532
bis(2,6-dimethyl-4,4-bis(2-methylpropyl)heptane);methane
CID 159457084
2-heptyl-2-propan-2-ylpropane-1,3-diol
CID 79450915
2-hexyl-2-propan-2-ylpropane-1,3-diol
CID 79450743
(2S)-2-amino-N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]-N,2,3-trimethylbutanamide
CID 89418996
2-(methoxymethyl)-N,N-dimethyl-2-propan-2-yldecan-1-amine
CID 139968931
2-tert-butyl-2-(methoxymethyl)-N,N,4-trimethylpentan-1-amine
CID 139968948

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-methyl-2-propan-2-ylpentan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-4-methyl-2-propan-2-ylpentan-1-ol (CID 139652444) is 2-[(dimethylamino)methyl]-4-methyl-2-propan-2-ylpentan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-methyl-2-propan-2-ylpentan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-methyl-2-propan-2-ylpentan-1-ol is CC(C)CC(CO)(CN(C)C)C(C)C.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-methyl-2-propan-2-ylpentan-1-ol?
The InChIKey is VZIHGLIHRJKBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-10(2)7-12(9-14,11(3)4)8-13(5)6/h10-11,14H,7-9H2,1-6H3.
What are the key properties of 2-[(dimethylamino)methyl]-4-methyl-2-propan-2-ylpentan-1-ol?
2-[(dimethylamino)methyl]-4-methyl-2-propan-2-ylpentan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-methyl-2-propan-2-ylpentan-1-ol is sourced from PubChem (CID 139652444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).