1-(dimethylamino)-3-(prop-2-enylamino)propan-2-ol

C8H18N2O — CID 60902345

IUPAC1-(dimethylamino)-3-(prop-2-enylamino)propan-2-ol
SMILESC=CCNCC(O)CN(C)C
InChIInChI=1S/C8H18N2O/c1-4-5-9-6-8(11)7-10(2)3/h4,8-9,11H,1,5-7H2,2-3H3
InChIKeyHXXZZPFZGHYZLI-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.32
Rot. Bonds6

About 1-(dimethylamino)-3-(prop-2-enylamino)propan-2-ol

1-(dimethylamino)-3-(prop-2-enylamino)propan-2-ol (PubChem CID 60902345) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(prop-2-enylamino)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-(prop-2-enylamino)propan-2-ol
PubChem CID60902345
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name1-(dimethylamino)-3-(prop-2-enylamino)propan-2-ol
SMILESC=CCNCC(O)CN(C)C
InChIInChI=1S/C8H18N2O/c1-4-5-9-6-8(11)7-10(2)3/h4,8-9,11H,1,5-7H2,2-3H3
InChIKeyHXXZZPFZGHYZLI-UHFFFAOYSA-N
XLogP-0.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(prop-2-enylamino)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-(prop-2-enylamino)propan-2-ol (CID 60902345) is 1-(dimethylamino)-3-(prop-2-enylamino)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-(prop-2-enylamino)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-(prop-2-enylamino)propan-2-ol is C=CCNCC(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-(prop-2-enylamino)propan-2-ol?
The InChIKey is HXXZZPFZGHYZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-4-5-9-6-8(11)7-10(2)3/h4,8-9,11H,1,5-7H2,2-3H3.
What are the key properties of 1-(dimethylamino)-3-(prop-2-enylamino)propan-2-ol?
1-(dimethylamino)-3-(prop-2-enylamino)propan-2-ol has a molecular weight of 158.25 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(prop-2-enylamino)propan-2-ol is sourced from PubChem (CID 60902345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).