(1S)-1-amino-1-[tert-butyl(propyl)amino]propan-2-ol

C10H24N2O — CID 87799868

IUPAC(1S)-1-amino-1-[tert-butyl(propyl)amino]propan-2-ol
SMILESCCCN([C@H](N)C(C)O)C(C)(C)C
InChIInChI=1S/C10H24N2O/c1-6-7-12(10(3,4)5)9(11)8(2)13/h8-9,13H,6-7,11H2,1-5H3/t8?,9-/m0/s1
InChIKeyDOLCTMIZTYEOKQ-GKAPJAKFSA-N
MW188.31 g/mol
LogP1.16
Rot. Bonds4

About (1S)-1-amino-1-[tert-butyl(propyl)amino]propan-2-ol

(1S)-1-amino-1-[tert-butyl(propyl)amino]propan-2-ol (PubChem CID 87799868) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is (1S)-1-amino-1-[tert-butyl(propyl)amino]propan-2-ol.

Molecular Properties

Compound Name(1S)-1-amino-1-[tert-butyl(propyl)amino]propan-2-ol
PubChem CID87799868
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name(1S)-1-amino-1-[tert-butyl(propyl)amino]propan-2-ol
SMILESCCCN([C@H](N)C(C)O)C(C)(C)C
InChIInChI=1S/C10H24N2O/c1-6-7-12(10(3,4)5)9(11)8(2)13/h8-9,13H,6-7,11H2,1-5H3/t8?,9-/m0/s1
InChIKeyDOLCTMIZTYEOKQ-GKAPJAKFSA-N
XLogP1.16
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-1-[tert-butyl(propyl)amino]propan-2-ol?
The IUPAC name of (1S)-1-amino-1-[tert-butyl(propyl)amino]propan-2-ol (CID 87799868) is (1S)-1-amino-1-[tert-butyl(propyl)amino]propan-2-ol.
What is the SMILES notation for (1S)-1-amino-1-[tert-butyl(propyl)amino]propan-2-ol?
The canonical SMILES for (1S)-1-amino-1-[tert-butyl(propyl)amino]propan-2-ol is CCCN([C@H](N)C(C)O)C(C)(C)C.
What is the InChIKey of (1S)-1-amino-1-[tert-butyl(propyl)amino]propan-2-ol?
The InChIKey is DOLCTMIZTYEOKQ-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H24N2O/c1-6-7-12(10(3,4)5)9(11)8(2)13/h8-9,13H,6-7,11H2,1-5H3/t8?,9-/m0/s1.
What are the key properties of (1S)-1-amino-1-[tert-butyl(propyl)amino]propan-2-ol?
(1S)-1-amino-1-[tert-butyl(propyl)amino]propan-2-ol has a molecular weight of 188.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-1-[tert-butyl(propyl)amino]propan-2-ol is sourced from PubChem (CID 87799868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).