(Z)-2-amino-3-(propylamino)prop-2-en-1-ol

C6H14N2O — CID 155484558

IUPAC(Z)-2-amino-3-(propylamino)prop-2-en-1-ol
SMILESCCCN/C=C(\N)CO
InChIInChI=1S/C6H14N2O/c1-2-3-8-4-6(7)5-9/h4,8-9H,2-3,5,7H2,1H3/b6-4-
InChIKeyPUAROHVOLCPVSS-XQRVVYSFSA-N
MW130.19 g/mol
LogP-0.22
Rot. Bonds4

About (Z)-2-amino-3-(propylamino)prop-2-en-1-ol

(Z)-2-amino-3-(propylamino)prop-2-en-1-ol (PubChem CID 155484558) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (Z)-2-amino-3-(propylamino)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-amino-3-(propylamino)prop-2-en-1-ol
PubChem CID155484558
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(Z)-2-amino-3-(propylamino)prop-2-en-1-ol
SMILESCCCN/C=C(\N)CO
InChIInChI=1S/C6H14N2O/c1-2-3-8-4-6(7)5-9/h4,8-9H,2-3,5,7H2,1H3/b6-4-
InChIKeyPUAROHVOLCPVSS-XQRVVYSFSA-N
XLogP-0.22
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.22
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

(Z)-1-N-butylbut-1-ene-1,2-diamine
CID 89423633
3-methyl-2-prop-1-en-2-yl-N-propylbuta-1,3-dien-1-amine
CID 170028248
(E)-2-N-methyl-1-N-propylbut-1-ene-1,2-diamine
CID 170238799
2-methyl-3-(propylamino)prop-2-enal;hydrochloride
CID 175310353
N-[2-[[(Z)-2-aminobut-1-enyl]amino]ethyl]acetamide
CID 90382326
2-nitro-N-propylprop-1-en-1-amine
CID 71371907
(E)-2-nitro-3-(propylamino)prop-2-enal
CID 11105624
propylaminourea
CID 55291175
N-ethenylpropan-1-amine;methane
CID 158278470
butane;hydrazine
CID 161056989
(Z)-3-[(Z)-2-amino-3-(5-methylhexylamino)prop-2-enoxy]-1-N-(5-methylhexyl)prop-1-ene-1,2-diamine
CID 145206770
hydrazine;propan-1-ol;hydrate
CID 87801534

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-(propylamino)prop-2-en-1-ol?
The IUPAC name of (Z)-2-amino-3-(propylamino)prop-2-en-1-ol (CID 155484558) is (Z)-2-amino-3-(propylamino)prop-2-en-1-ol.
What is the SMILES notation for (Z)-2-amino-3-(propylamino)prop-2-en-1-ol?
The canonical SMILES for (Z)-2-amino-3-(propylamino)prop-2-en-1-ol is CCCN/C=C(\N)CO.
What is the InChIKey of (Z)-2-amino-3-(propylamino)prop-2-en-1-ol?
The InChIKey is PUAROHVOLCPVSS-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H14N2O/c1-2-3-8-4-6(7)5-9/h4,8-9H,2-3,5,7H2,1H3/b6-4-.
What are the key properties of (Z)-2-amino-3-(propylamino)prop-2-en-1-ol?
(Z)-2-amino-3-(propylamino)prop-2-en-1-ol has a molecular weight of 130.19 g/mol, XLogP of -0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-(propylamino)prop-2-en-1-ol is sourced from PubChem (CID 155484558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).