1-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpentan-2-ol

C12H28N2O — CID 106291003

IUPAC1-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCC(CN)C(C)C
InChIInChI=1S/C12H28N2O/c1-5-6-12(4,15)9-14-8-11(7-13)10(2)3/h10-11,14-15H,5-9,13H2,1-4H3
InChIKeyQMEDKACYYIDOKG-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.36
Rot. Bonds8

About 1-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpentan-2-ol

1-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpentan-2-ol (PubChem CID 106291003) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpentan-2-ol
PubChem CID106291003
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name1-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCC(CN)C(C)C
InChIInChI=1S/C12H28N2O/c1-5-6-12(4,15)9-14-8-11(7-13)10(2)3/h10-11,14-15H,5-9,13H2,1-4H3
InChIKeyQMEDKACYYIDOKG-UHFFFAOYSA-N
XLogP1.36
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-ethylbutan-1-ol
CID 106252088
2-amino-3-[(2-hydroxy-2-methylpentyl)amino]propanamide
CID 106294471
1-(2,2-diethoxyethylamino)-2-methylpentan-2-ol
CID 106292529
1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-methylpentan-2-ol
CID 114169381
N'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252631
2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106293022
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide
CID 107442563
3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]pentan-1-ol
CID 107442461
2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 106292541
2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol
CID 83168632
(2R)-1-amino-2-methylpentan-2-ol
CID 51381277
3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide
CID 106292069

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpentan-2-ol (CID 106291003) is 1-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpentan-2-ol is CCCC(C)(O)CNCC(CN)C(C)C.
What is the InChIKey of 1-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpentan-2-ol?
The InChIKey is QMEDKACYYIDOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-5-6-12(4,15)9-14-8-11(7-13)10(2)3/h10-11,14-15H,5-9,13H2,1-4H3.
What are the key properties of 1-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpentan-2-ol?
1-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpentan-2-ol has a molecular weight of 216.37 g/mol, XLogP of 1.36, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpentan-2-ol is sourced from PubChem (CID 106291003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).