1-[bis(prop-2-enyl)amino]-3-(cyclopropylamino)propan-2-ol

C12H22N2O — CID 54773232

IUPAC1-[bis(prop-2-enyl)amino]-3-(cyclopropylamino)propan-2-ol
SMILESC=CCN(CC=C)CC(O)CNC1CC1
InChIInChI=1S/C12H22N2O/c1-3-7-14(8-4-2)10-12(15)9-13-11-5-6-11/h3-4,11-13,15H,1-2,5-10H2
InChIKeyITPHJGXBYUETEH-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.77
Rot. Bonds9

About 1-[bis(prop-2-enyl)amino]-3-(cyclopropylamino)propan-2-ol

1-[bis(prop-2-enyl)amino]-3-(cyclopropylamino)propan-2-ol (PubChem CID 54773232) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[bis(prop-2-enyl)amino]-3-(cyclopropylamino)propan-2-ol.

Molecular Properties

Compound Name1-[bis(prop-2-enyl)amino]-3-(cyclopropylamino)propan-2-ol
PubChem CID54773232
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[bis(prop-2-enyl)amino]-3-(cyclopropylamino)propan-2-ol
SMILESC=CCN(CC=C)CC(O)CNC1CC1
InChIInChI=1S/C12H22N2O/c1-3-7-14(8-4-2)10-12(15)9-13-11-5-6-11/h3-4,11-13,15H,1-2,5-10H2
InChIKeyITPHJGXBYUETEH-UHFFFAOYSA-N
XLogP0.77
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-Bis-(2-propen-1-ylamino)-2-propanol, hydrochloride (1:2)
CID 89999245
1,3-Bis(2-propen-1-ylamino)-2-propanol
CID 17950343
2-[3-[Bis(prop-2-enyl)amino]propylamino]ethanol
CID 54201266
1-Amino-3-[bis(prop-2-enyl)amino]propan-2-ol
CID 54773421
[3-[Bis(prop-2-enyl)azaniumyl]-2-hydroxypropyl]-bis(prop-2-enyl)azanium
CID 59110836
2-Hydroxypropyl-dimethyl-[3-(prop-2-enylamino)propyl]azanium
CID 87750309
1,3-Bis[3-(prop-2-enylamino)propylamino]propan-2-ol
CID 88385321
1-(Dipropylamino)propan-2-ol;prop-2-en-1-amine
CID 88385322
2-[3-(Prop-2-enylamino)butylamino]ethanol
CID 88783272
2-[3-(Prop-2-enylamino)propylamino]ethanol
CID 88814014
2-[3-Aminopropyl(prop-2-enyl)amino]ethanol
CID 116300484
1-(Ethylamino)-3-(prop-2-enylamino)propan-2-ol
CID 155119663

Frequently Asked Questions

What is the IUPAC name of 1-[bis(prop-2-enyl)amino]-3-(cyclopropylamino)propan-2-ol?
The IUPAC name of 1-[bis(prop-2-enyl)amino]-3-(cyclopropylamino)propan-2-ol (CID 54773232) is 1-[bis(prop-2-enyl)amino]-3-(cyclopropylamino)propan-2-ol.
What is the SMILES notation for 1-[bis(prop-2-enyl)amino]-3-(cyclopropylamino)propan-2-ol?
The canonical SMILES for 1-[bis(prop-2-enyl)amino]-3-(cyclopropylamino)propan-2-ol is C=CCN(CC=C)CC(O)CNC1CC1.
What is the InChIKey of 1-[bis(prop-2-enyl)amino]-3-(cyclopropylamino)propan-2-ol?
The InChIKey is ITPHJGXBYUETEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-7-14(8-4-2)10-12(15)9-13-11-5-6-11/h3-4,11-13,15H,1-2,5-10H2.
What are the key properties of 1-[bis(prop-2-enyl)amino]-3-(cyclopropylamino)propan-2-ol?
1-[bis(prop-2-enyl)amino]-3-(cyclopropylamino)propan-2-ol has a molecular weight of 210.32 g/mol, XLogP of 0.77, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(prop-2-enyl)amino]-3-(cyclopropylamino)propan-2-ol is sourced from PubChem (CID 54773232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).