1,1-bis(prop-2-enylamino)propan-2-ol

C9H18N2O — CID 88814585

IUPAC1,1-bis(prop-2-enylamino)propan-2-ol
SMILESC=CCNC(NCC=C)C(C)O
InChIInChI=1S/C9H18N2O/c1-4-6-10-9(8(3)12)11-7-5-2/h4-5,8-12H,1-2,6-7H2,3H3
InChIKeyYHFVFKLRZJTDLF-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.24
Rot. Bonds7

About 1,1-bis(prop-2-enylamino)propan-2-ol

1,1-bis(prop-2-enylamino)propan-2-ol (PubChem CID 88814585) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1,1-bis(prop-2-enylamino)propan-2-ol.

Molecular Properties

Compound Name1,1-bis(prop-2-enylamino)propan-2-ol
PubChem CID88814585
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1,1-bis(prop-2-enylamino)propan-2-ol
SMILESC=CCNC(NCC=C)C(C)O
InChIInChI=1S/C9H18N2O/c1-4-6-10-9(8(3)12)11-7-5-2/h4-5,8-12H,1-2,6-7H2,3H3
InChIKeyYHFVFKLRZJTDLF-UHFFFAOYSA-N
XLogP0.24
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(prop-2-enylamino)propan-2-ol?
The IUPAC name of 1,1-bis(prop-2-enylamino)propan-2-ol (CID 88814585) is 1,1-bis(prop-2-enylamino)propan-2-ol.
What is the SMILES notation for 1,1-bis(prop-2-enylamino)propan-2-ol?
The canonical SMILES for 1,1-bis(prop-2-enylamino)propan-2-ol is C=CCNC(NCC=C)C(C)O.
What is the InChIKey of 1,1-bis(prop-2-enylamino)propan-2-ol?
The InChIKey is YHFVFKLRZJTDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-6-10-9(8(3)12)11-7-5-2/h4-5,8-12H,1-2,6-7H2,3H3.
What are the key properties of 1,1-bis(prop-2-enylamino)propan-2-ol?
1,1-bis(prop-2-enylamino)propan-2-ol has a molecular weight of 170.26 g/mol, XLogP of 0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(prop-2-enylamino)propan-2-ol is sourced from PubChem (CID 88814585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).