2-methyl-2-[(3-propan-2-yloxypropylamino)methyl]butan-1-ol

C12H27NO2 — CID 81412865

IUPAC2-methyl-2-[(3-propan-2-yloxypropylamino)methyl]butan-1-ol
SMILESCCC(C)(CO)CNCCCOC(C)C
InChIInChI=1S/C12H27NO2/c1-5-12(4,10-14)9-13-7-6-8-15-11(2)3/h11,13-14H,5-10H2,1-4H3
InChIKeyXAJDJRRXMPRSLG-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.80
Rot. Bonds9

About 2-methyl-2-[(3-propan-2-yloxypropylamino)methyl]butan-1-ol

2-methyl-2-[(3-propan-2-yloxypropylamino)methyl]butan-1-ol (PubChem CID 81412865) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 2-methyl-2-[(3-propan-2-yloxypropylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(3-propan-2-yloxypropylamino)methyl]butan-1-ol
PubChem CID81412865
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name2-methyl-2-[(3-propan-2-yloxypropylamino)methyl]butan-1-ol
SMILESCCC(C)(CO)CNCCCOC(C)C
InChIInChI=1S/C12H27NO2/c1-5-12(4,10-14)9-13-7-6-8-15-11(2)3/h11,13-14H,5-10H2,1-4H3
InChIKeyXAJDJRRXMPRSLG-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-[(5-methylhexylamino)methyl]butan-1-ol
CID 115324505
2-[(2-aminoethylamino)methyl]-2-methylbutan-1-ol
CID 81418901
2-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]butan-1-ol
CID 81419151
2-[[2-(2-methoxyethoxy)ethylamino]methyl]-2-methylbutan-1-ol
CID 81418619
(2R)-2-[[[(3R,4R)-4-amino-3-methylpentyl]amino]methyl]-2-methylbutan-1-ol
CID 87167758
2-methyl-2-[(5-methylhexylamino)methyl]propane-1,3-diol
CID 115325569
N'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 107444739
2-[(2-but-3-enoxyethylamino)methyl]-2-methylbutan-1-ol
CID 106397096
2-[[3-(furan-2-ylmethoxy)propylamino]methyl]-2-methylbutan-1-ol
CID 81411518
3-[[2-(hydroxymethyl)-2-methylbutyl]amino]propanenitrile
CID 81413090
1-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2,4-dimethylpentan-2-ol
CID 81418868
4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol
CID 106147209

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-propan-2-yloxypropylamino)methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[(3-propan-2-yloxypropylamino)methyl]butan-1-ol (CID 81412865) is 2-methyl-2-[(3-propan-2-yloxypropylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[(3-propan-2-yloxypropylamino)methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[(3-propan-2-yloxypropylamino)methyl]butan-1-ol is CCC(C)(CO)CNCCCOC(C)C.
What is the InChIKey of 2-methyl-2-[(3-propan-2-yloxypropylamino)methyl]butan-1-ol?
The InChIKey is XAJDJRRXMPRSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-5-12(4,10-14)9-13-7-6-8-15-11(2)3/h11,13-14H,5-10H2,1-4H3.
What are the key properties of 2-methyl-2-[(3-propan-2-yloxypropylamino)methyl]butan-1-ol?
2-methyl-2-[(3-propan-2-yloxypropylamino)methyl]butan-1-ol has a molecular weight of 217.35 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-propan-2-yloxypropylamino)methyl]butan-1-ol is sourced from PubChem (CID 81412865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).