3-[(3-amino-3-methylbutyl)amino]-3-methylbutan-1-ol

C10H24N2O — CID 123741873

IUPAC3-[(3-amino-3-methylbutyl)amino]-3-methylbutan-1-ol
SMILESCC(C)(N)CCNC(C)(C)CCO
InChIInChI=1S/C10H24N2O/c1-9(2,11)5-7-12-10(3,4)6-8-13/h12-13H,5-8,11H2,1-4H3
InChIKeyRAWLIRVEIJIWKV-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.86
Rot. Bonds6

About 3-[(3-amino-3-methylbutyl)amino]-3-methylbutan-1-ol

3-[(3-amino-3-methylbutyl)amino]-3-methylbutan-1-ol (PubChem CID 123741873) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-[(3-amino-3-methylbutyl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(3-amino-3-methylbutyl)amino]-3-methylbutan-1-ol
PubChem CID123741873
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name3-[(3-amino-3-methylbutyl)amino]-3-methylbutan-1-ol
SMILESCC(C)(N)CCNC(C)(C)CCO
InChIInChI=1S/C10H24N2O/c1-9(2,11)5-7-12-10(3,4)6-8-13/h12-13H,5-8,11H2,1-4H3
InChIKeyRAWLIRVEIJIWKV-UHFFFAOYSA-N
XLogP0.86
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[3-(Ethylamino)propylamino]propylamino]propan-1-ol
CID 44321344
(2S)-4-(tert-butylamino)butan-2-ol
CID 13948169
2-((4-Hydroxybutyl)amino)-2-methylpropanenitrile
CID 15511961
3-Amino-2-[(isobutylamino)methyl]butan-1-ol
CID 168301758
3-Methyl-3-(3,3,3-trifluoropropylamino)butan-1-ol
CID 116342026
3-(2-Fluoroethylamino)-3-methylbutan-1-ol
CID 116342040
3-Methyl-3-(4,4,4-trifluorobutylamino)butan-1-ol
CID 116342049
3-(3-Fluoropropylamino)-3-methylbutan-1-ol
CID 116342307
3-[4-(Methylamino)butylamino]propan-1-ol
CID 50925415
3-(Tert-butylamino)propan-1-ol
CID 3844519
4-(Tert-butylamino)-1-butanol
CID 12484483
4-(Tert-butylamino)butan-2-ol
CID 13948168

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-3-methylbutyl)amino]-3-methylbutan-1-ol?
The IUPAC name of 3-[(3-amino-3-methylbutyl)amino]-3-methylbutan-1-ol (CID 123741873) is 3-[(3-amino-3-methylbutyl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 3-[(3-amino-3-methylbutyl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 3-[(3-amino-3-methylbutyl)amino]-3-methylbutan-1-ol is CC(C)(N)CCNC(C)(C)CCO.
What is the InChIKey of 3-[(3-amino-3-methylbutyl)amino]-3-methylbutan-1-ol?
The InChIKey is RAWLIRVEIJIWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-9(2,11)5-7-12-10(3,4)6-8-13/h12-13H,5-8,11H2,1-4H3.
What are the key properties of 3-[(3-amino-3-methylbutyl)amino]-3-methylbutan-1-ol?
3-[(3-amino-3-methylbutyl)amino]-3-methylbutan-1-ol has a molecular weight of 188.31 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-3-methylbutyl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 123741873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).