4-amino-1-(prop-2-enylamino)butan-2-ol

C7H16N2O — CID 112511949

IUPAC4-amino-1-(prop-2-enylamino)butan-2-ol
SMILESC=CCNCC(O)CCN
InChIInChI=1S/C7H16N2O/c1-2-5-9-6-7(10)3-4-8/h2,7,9-10H,1,3-6,8H2
InChIKeyIZZGSANJYKGEEI-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.53
Rot. Bonds6

About 4-amino-1-(prop-2-enylamino)butan-2-ol

4-amino-1-(prop-2-enylamino)butan-2-ol (PubChem CID 112511949) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 4-amino-1-(prop-2-enylamino)butan-2-ol.

Molecular Properties

Compound Name4-amino-1-(prop-2-enylamino)butan-2-ol
PubChem CID112511949
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name4-amino-1-(prop-2-enylamino)butan-2-ol
SMILESC=CCNCC(O)CCN
InChIInChI=1S/C7H16N2O/c1-2-5-9-6-7(10)3-4-8/h2,7,9-10H,1,3-6,8H2
InChIKeyIZZGSANJYKGEEI-UHFFFAOYSA-N
XLogP-0.53
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
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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Related Compounds

1-amino-2-(prop-2-enylamino)ethanol
CID 174652566
ethane;3-(prop-2-enylamino)propane-1,2-diol;prop-1-yne
CID 142202246
1-(2-methoxyethoxy)-3-(prop-2-enylamino)propan-2-ol
CID 106988982
2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine
CID 107440897
1-butoxy-3-(prop-2-enylamino)propan-2-ol
CID 107262418
4-amino-1-(benzylamino)butan-2-ol
CID 112511959
1-cyclohexyloxy-3-(prop-2-enylamino)propan-2-ol
CID 60635341
1-(prop-2-enylamino)-3-pyrimidin-2-yloxypropan-2-ol
CID 70545011
2-methyl-3-(prop-2-enylamino)propan-1-ol
CID 65036515
N'-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine
CID 15001042
(2S)-2-hydroxy-N-methyl-3-(prop-2-enylamino)propanamide
CID 90065128
(2S)-1-(2,5-dichlorophenoxy)-3-(prop-2-enylamino)propan-2-ol
CID 2114447

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(prop-2-enylamino)butan-2-ol?
The IUPAC name of 4-amino-1-(prop-2-enylamino)butan-2-ol (CID 112511949) is 4-amino-1-(prop-2-enylamino)butan-2-ol.
What is the SMILES notation for 4-amino-1-(prop-2-enylamino)butan-2-ol?
The canonical SMILES for 4-amino-1-(prop-2-enylamino)butan-2-ol is C=CCNCC(O)CCN.
What is the InChIKey of 4-amino-1-(prop-2-enylamino)butan-2-ol?
The InChIKey is IZZGSANJYKGEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-2-5-9-6-7(10)3-4-8/h2,7,9-10H,1,3-6,8H2.
What are the key properties of 4-amino-1-(prop-2-enylamino)butan-2-ol?
4-amino-1-(prop-2-enylamino)butan-2-ol has a molecular weight of 144.22 g/mol, XLogP of -0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(prop-2-enylamino)butan-2-ol is sourced from PubChem (CID 112511949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).