2-[[5-chloro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]-prop-2-enylamino]ethanol

C14H22ClN3O — CID 114927139

IUPAC2-[[5-chloro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)c1cc(CNC(C)C)c(Cl)cn1
InChIInChI=1S/C14H22ClN3O/c1-4-5-18(6-7-19)14-8-12(9-16-11(2)3)13(15)10-17-14/h4,8,10-11,16,19H,1,5-7,9H2,2-3H3
InChIKeyPEPCZRMRZRSLJB-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.22
Rot. Bonds8

About 2-[[5-chloro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]-prop-2-enylamino]ethanol

2-[[5-chloro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]-prop-2-enylamino]ethanol (PubChem CID 114927139) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[[5-chloro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[[5-chloro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]-prop-2-enylamino]ethanol
PubChem CID114927139
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-[[5-chloro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)c1cc(CNC(C)C)c(Cl)cn1
InChIInChI=1S/C14H22ClN3O/c1-4-5-18(6-7-19)14-8-12(9-16-11(2)3)13(15)10-17-14/h4,8,10-11,16,19H,1,5-7,9H2,2-3H3
InChIKeyPEPCZRMRZRSLJB-UHFFFAOYSA-N
XLogP2.22
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-[(cyclopropylamino)methyl]-N-prop-2-enyl-N-propylpyridin-2-amine
CID 114926899
5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine
CID 114926894
5-chloro-N,N-bis(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114926132
[2-[bis(prop-2-enyl)amino]-5-chloro-4-pyridinyl]methanol
CID 114920172
5-chloro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114925475
5-chloro-N-ethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114925172
2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 75496488
5-chloro-N-methyl-N-(2-methylbutan-2-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114926548
(1R)-1-[6-[2-hydroxyethyl(prop-2-enyl)amino]-3-pyridinyl]ethanol
CID 104869570
2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-prop-2-enylamino]ethanol
CID 104869537
2-[(5-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 115744703
5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 114925130

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]-prop-2-enylamino]ethanol?
The IUPAC name of 2-[[5-chloro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]-prop-2-enylamino]ethanol (CID 114927139) is 2-[[5-chloro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[[5-chloro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[[5-chloro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]-prop-2-enylamino]ethanol is C=CCN(CCO)c1cc(CNC(C)C)c(Cl)cn1.
What is the InChIKey of 2-[[5-chloro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]-prop-2-enylamino]ethanol?
The InChIKey is PEPCZRMRZRSLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-4-5-18(6-7-19)14-8-12(9-16-11(2)3)13(15)10-17-14/h4,8,10-11,16,19H,1,5-7,9H2,2-3H3.
What are the key properties of 2-[[5-chloro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]-prop-2-enylamino]ethanol?
2-[[5-chloro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]-prop-2-enylamino]ethanol has a molecular weight of 283.80 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]-prop-2-enylamino]ethanol is sourced from PubChem (CID 114927139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).