N,4-dimethyl-5-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]pyridin-2-amine

C14H21N3 — CID 166128409

IUPACN,4-dimethyl-5-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]pyridin-2-amine
SMILESCNc1cc(C)c(/C=C/C2CCCN2C)cn1
InChIInChI=1S/C14H21N3/c1-11-9-14(15-2)16-10-12(11)6-7-13-5-4-8-17(13)3/h6-7,9-10,13H,4-5,8H2,1-3H3,(H,15,16)/b7-6+
InChIKeyDNMKDKAEQWSXLG-VOTSOKGWSA-N
MW231.34 g/mol
LogP2.54
Rot. Bonds3

About N,4-dimethyl-5-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]pyridin-2-amine

N,4-dimethyl-5-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]pyridin-2-amine (PubChem CID 166128409) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N,4-dimethyl-5-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]pyridin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]pyridin-2-amine
PubChem CID166128409
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN,4-dimethyl-5-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]pyridin-2-amine
SMILESCNc1cc(C)c(/C=C/C2CCCN2C)cn1
InChIInChI=1S/C14H21N3/c1-11-9-14(15-2)16-10-12(11)6-7-13-5-4-8-17(13)3/h6-7,9-10,13H,4-5,8H2,1-3H3,(H,15,16)/b7-6+
InChIKeyDNMKDKAEQWSXLG-VOTSOKGWSA-N
XLogP2.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]pyridin-2-amine?
The IUPAC name of N,4-dimethyl-5-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]pyridin-2-amine (CID 166128409) is N,4-dimethyl-5-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]pyridin-2-amine.
What is the SMILES notation for N,4-dimethyl-5-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]pyridin-2-amine?
The canonical SMILES for N,4-dimethyl-5-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]pyridin-2-amine is CNc1cc(C)c(/C=C/C2CCCN2C)cn1.
What is the InChIKey of N,4-dimethyl-5-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]pyridin-2-amine?
The InChIKey is DNMKDKAEQWSXLG-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H21N3/c1-11-9-14(15-2)16-10-12(11)6-7-13-5-4-8-17(13)3/h6-7,9-10,13H,4-5,8H2,1-3H3,(H,15,16)/b7-6+.
What are the key properties of N,4-dimethyl-5-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]pyridin-2-amine?
N,4-dimethyl-5-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]pyridin-2-amine has a molecular weight of 231.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]pyridin-2-amine is sourced from PubChem (CID 166128409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).