3-amino-1-(cyclopropylamino)-3-methylbutan-2-ol

C8H18N2O — CID 151548082

IUPAC3-amino-1-(cyclopropylamino)-3-methylbutan-2-ol
SMILESCC(C)(N)C(O)CNC1CC1
InChIInChI=1S/C8H18N2O/c1-8(2,9)7(11)5-10-6-3-4-6/h6-7,10-11H,3-5,9H2,1-2H3
InChIKeyPZWPDXNBVJESRT-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.16
Rot. Bonds4

About 3-amino-1-(cyclopropylamino)-3-methylbutan-2-ol

3-amino-1-(cyclopropylamino)-3-methylbutan-2-ol (PubChem CID 151548082) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 3-amino-1-(cyclopropylamino)-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-amino-1-(cyclopropylamino)-3-methylbutan-2-ol
PubChem CID151548082
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name3-amino-1-(cyclopropylamino)-3-methylbutan-2-ol
SMILESCC(C)(N)C(O)CNC1CC1
InChIInChI=1S/C8H18N2O/c1-8(2,9)7(11)5-10-6-3-4-6/h6-7,10-11H,3-5,9H2,1-2H3
InChIKeyPZWPDXNBVJESRT-UHFFFAOYSA-N
XLogP-0.16
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Bis((1-methylethyl)amino)propan-2-ol
CID 273840
2-Butanol, 3-methyl-3-(N-methyl-N-isopropyl)amino-, hydrochloride
CID 46415
1-(Cyclopropylamino)butan-2-ol
CID 60884984
1,3-Bis(tert-butylamino)propan-2-ol
CID 4408839
1-(Cyclopropylamino)-3,3-dimethylbutan-2-ol
CID 62773739
1-(Tert-butylamino)-3-(methylamino)propan-2-ol
CID 2838509
1-Amino-3-((1,1-dimethylethyl)amino)propan-2-ol
CID 3016525
1-[(2,2-Dimethylcyclopropyl)amino]-3-fluoropropan-2-ol
CID 131219847
1-(Tert-butylamino)butan-2-ol
CID 13610208
1-(Ethylamino)-3-(propan-2-ylamino)propan-2-ol
CID 15255607
4-Amino-1-tert-butylamino-butan-2-ol
CID 18550835
2-[(4-Amino-3-methylbutyl)amino]-2-methylpropan-1-ol
CID 18678074

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(cyclopropylamino)-3-methylbutan-2-ol?
The IUPAC name of 3-amino-1-(cyclopropylamino)-3-methylbutan-2-ol (CID 151548082) is 3-amino-1-(cyclopropylamino)-3-methylbutan-2-ol.
What is the SMILES notation for 3-amino-1-(cyclopropylamino)-3-methylbutan-2-ol?
The canonical SMILES for 3-amino-1-(cyclopropylamino)-3-methylbutan-2-ol is CC(C)(N)C(O)CNC1CC1.
What is the InChIKey of 3-amino-1-(cyclopropylamino)-3-methylbutan-2-ol?
The InChIKey is PZWPDXNBVJESRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-8(2,9)7(11)5-10-6-3-4-6/h6-7,10-11H,3-5,9H2,1-2H3.
What are the key properties of 3-amino-1-(cyclopropylamino)-3-methylbutan-2-ol?
3-amino-1-(cyclopropylamino)-3-methylbutan-2-ol has a molecular weight of 158.25 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(cyclopropylamino)-3-methylbutan-2-ol is sourced from PubChem (CID 151548082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).