2-[[(E)-prop-1-enyl]amino]propan-2-ol

C6H13NO — CID 163953980

IUPAC2-[[(E)-prop-1-enyl]amino]propan-2-ol
SMILESC/C=C/NC(C)(C)O
InChIInChI=1S/C6H13NO/c1-4-5-7-6(2,3)8/h4-5,7-8H,1-3H3/b5-4+
InChIKeySBSZTNOYSRRBKZ-SNAWJCMRSA-N
MW115.18 g/mol
LogP0.84
Rot. Bonds2

About 2-[[(E)-prop-1-enyl]amino]propan-2-ol

2-[[(E)-prop-1-enyl]amino]propan-2-ol (PubChem CID 163953980) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-[[(E)-prop-1-enyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-[[(E)-prop-1-enyl]amino]propan-2-ol
PubChem CID163953980
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-[[(E)-prop-1-enyl]amino]propan-2-ol
SMILESC/C=C/NC(C)(C)O
InChIInChI=1S/C6H13NO/c1-4-5-7-6(2,3)8/h4-5,7-8H,1-3H3/b5-4+
InChIKeySBSZTNOYSRRBKZ-SNAWJCMRSA-N
XLogP0.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 88943856
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CID 89043965
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CID 148483567
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CID 166777426
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CID 170571711
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CID 173057514
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CID 174388282
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CID 143631097
CID 143631097

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-prop-1-enyl]amino]propan-2-ol?
The IUPAC name of 2-[[(E)-prop-1-enyl]amino]propan-2-ol (CID 163953980) is 2-[[(E)-prop-1-enyl]amino]propan-2-ol.
What is the SMILES notation for 2-[[(E)-prop-1-enyl]amino]propan-2-ol?
The canonical SMILES for 2-[[(E)-prop-1-enyl]amino]propan-2-ol is C/C=C/NC(C)(C)O.
What is the InChIKey of 2-[[(E)-prop-1-enyl]amino]propan-2-ol?
The InChIKey is SBSZTNOYSRRBKZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-5-7-6(2,3)8/h4-5,7-8H,1-3H3/b5-4+.
What are the key properties of 2-[[(E)-prop-1-enyl]amino]propan-2-ol?
2-[[(E)-prop-1-enyl]amino]propan-2-ol has a molecular weight of 115.18 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-prop-1-enyl]amino]propan-2-ol is sourced from PubChem (CID 163953980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).