1-amino-3-(tert-butylamino)propan-2-ol

C7H18N2O — CID 3016525

IUPAC1-amino-3-(tert-butylamino)propan-2-ol
SMILESCC(C)(C)NCC(O)CN
InChIInChI=1S/C7H18N2O/c1-7(2,3)9-5-6(10)4-8/h6,9-10H,4-5,8H2,1-3H3
InChIKeyUIPBHEMSRLPBRL-UHFFFAOYSA-N
MW146.23 g/mol
LogP-0.31
Rot. Bonds3

About 1-amino-3-(tert-butylamino)propan-2-ol

1-amino-3-(tert-butylamino)propan-2-ol (PubChem CID 3016525) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 1-amino-3-(tert-butylamino)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(tert-butylamino)propan-2-ol
PubChem CID3016525
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name1-amino-3-(tert-butylamino)propan-2-ol
SMILESCC(C)(C)NCC(O)CN
InChIInChI=1S/C7H18N2O/c1-7(2,3)9-5-6(10)4-8/h6,9-10H,4-5,8H2,1-3H3
InChIKeyUIPBHEMSRLPBRL-UHFFFAOYSA-N
XLogP-0.31
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(tert-butylamino)butan-2-ol
CID 93383134
N'-tert-butyl-2-fluoropropane-1,3-diamine
CID 130349943
1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride
CID 13017286
(2S)-1-(tert-butylamino)-4-methylpentan-2-ol
CID 2056246
N',2-ditert-butylpropane-1,3-diamine
CID 139363560
1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride
CID 45265339
1-(tert-butylamino)-3,3-dimethylbutan-2-ol
CID 59827324
tert-butyl-[3-(tert-butylamino)-2-hydroxypropyl]azanium chloride
CID 44723542
1-(tert-butylamino)-3-ethoxypropan-2-ol
CID 63933571
(2R)-1-amino-3-hydrazinylpropan-2-ol
CID 143068415
1-(tert-butylamino)octan-2-ol
CID 62774713
1-amino-3-(ethylamino)propan-2-ol
CID 20604769

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(tert-butylamino)propan-2-ol?
The IUPAC name of 1-amino-3-(tert-butylamino)propan-2-ol (CID 3016525) is 1-amino-3-(tert-butylamino)propan-2-ol.
What is the SMILES notation for 1-amino-3-(tert-butylamino)propan-2-ol?
The canonical SMILES for 1-amino-3-(tert-butylamino)propan-2-ol is CC(C)(C)NCC(O)CN.
What is the InChIKey of 1-amino-3-(tert-butylamino)propan-2-ol?
The InChIKey is UIPBHEMSRLPBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-7(2,3)9-5-6(10)4-8/h6,9-10H,4-5,8H2,1-3H3.
What are the key properties of 1-amino-3-(tert-butylamino)propan-2-ol?
1-amino-3-(tert-butylamino)propan-2-ol has a molecular weight of 146.23 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(tert-butylamino)propan-2-ol is sourced from PubChem (CID 3016525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).