2-(4-aminobutylamino)prop-2-en-1-ol

C7H16N2O — CID 121448594

IUPAC2-(4-aminobutylamino)prop-2-en-1-ol
SMILESC=C(CO)NCCCCN
InChIInChI=1S/C7H16N2O/c1-7(6-10)9-5-3-2-4-8/h9-10H,1-6,8H2
InChIKeyUJHARYGPKHCSBV-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.18
Rot. Bonds6

About 2-(4-aminobutylamino)prop-2-en-1-ol

2-(4-aminobutylamino)prop-2-en-1-ol (PubChem CID 121448594) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 2-(4-aminobutylamino)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(4-aminobutylamino)prop-2-en-1-ol
PubChem CID121448594
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name2-(4-aminobutylamino)prop-2-en-1-ol
SMILESC=C(CO)NCCCCN
InChIInChI=1S/C7H16N2O/c1-7(6-10)9-5-3-2-4-8/h9-10H,1-6,8H2
InChIKeyUJHARYGPKHCSBV-UHFFFAOYSA-N
XLogP-0.18
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 ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Fluoroethylamino)prop-2-en-1-ol
CID 166898417
2-(2-Hydroxyethylamino)prop-2-en-1-ol
CID 87850735
2-(Propylamino)prop-2-en-1-ol
CID 88884742
(Z)-2,3-bis(methylamino)prop-2-en-1-ol
CID 88953890
(Z)-3-amino-2-(methylamino)prop-2-en-1-ol
CID 89206103
2-[[(Z)-2-(2-hydroxyethylamino)prop-1-enyl]amino]ethanol
CID 140346443
(Z)-2-amino-3-(methylamino)prop-2-en-1-ol
CID 147935369
2-(Butylamino)prop-2-en-1-ol
CID 148072349
(Z)-2-amino-3-(propylamino)prop-2-en-1-ol
CID 155484558
Ethane;2-(ethylamino)prop-2-en-1-ol
CID 162360559
2-(3-Methylbutylamino)prop-2-en-1-ol
CID 162750309
(E)-2-(propylamino)prop-1-ene-1,3-diol
CID 166781609

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutylamino)prop-2-en-1-ol?
The IUPAC name of 2-(4-aminobutylamino)prop-2-en-1-ol (CID 121448594) is 2-(4-aminobutylamino)prop-2-en-1-ol.
What is the SMILES notation for 2-(4-aminobutylamino)prop-2-en-1-ol?
The canonical SMILES for 2-(4-aminobutylamino)prop-2-en-1-ol is C=C(CO)NCCCCN.
What is the InChIKey of 2-(4-aminobutylamino)prop-2-en-1-ol?
The InChIKey is UJHARYGPKHCSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-7(6-10)9-5-3-2-4-8/h9-10H,1-6,8H2.
What are the key properties of 2-(4-aminobutylamino)prop-2-en-1-ol?
2-(4-aminobutylamino)prop-2-en-1-ol has a molecular weight of 144.22 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutylamino)prop-2-en-1-ol is sourced from PubChem (CID 121448594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).