N,N-dimethyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridin-2-amine

C14H21N3 — CID 77089956

IUPACN,N-dimethyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridin-2-amine
SMILESCC1=CCN(Cc2ccc(N(C)C)nc2)CC1
InChIInChI=1S/C14H21N3/c1-12-6-8-17(9-7-12)11-13-4-5-14(15-10-13)16(2)3/h4-6,10H,7-9,11H2,1-3H3
InChIKeyPMQISOQSLJLZEL-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.30
Rot. Bonds3

About N,N-dimethyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridin-2-amine

N,N-dimethyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridin-2-amine (PubChem CID 77089956) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N,N-dimethyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridin-2-amine
PubChem CID77089956
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN,N-dimethyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridin-2-amine
SMILESCC1=CCN(Cc2ccc(N(C)C)nc2)CC1
InChIInChI=1S/C14H21N3/c1-12-6-8-17(9-7-12)11-13-4-5-14(15-10-13)16(2)3/h4-6,10H,7-9,11H2,1-3H3
InChIKeyPMQISOQSLJLZEL-UHFFFAOYSA-N
XLogP2.30
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridin-2-amine (CID 77089956) is N,N-dimethyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridin-2-amine is CC1=CCN(Cc2ccc(N(C)C)nc2)CC1.
What is the InChIKey of N,N-dimethyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridin-2-amine?
The InChIKey is PMQISOQSLJLZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-12-6-8-17(9-7-12)11-13-4-5-14(15-10-13)16(2)3/h4-6,10H,7-9,11H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridin-2-amine?
N,N-dimethyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridin-2-amine has a molecular weight of 231.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 77089956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).