N-(2,3-dihydropyridin-2-ylmethyl)-N-methylbutan-2-amine

C11H20N2 — CID 66612937

IUPACN-(2,3-dihydropyridin-2-ylmethyl)-N-methylbutan-2-amine
SMILESCCC(C)N(C)CC1CC=CC=N1
InChIInChI=1S/C11H20N2/c1-4-10(2)13(3)9-11-7-5-6-8-12-11/h5-6,8,10-11H,4,7,9H2,1-3H3
InChIKeyQRFFCOBISWTVAZ-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.12
Rot. Bonds4

About N-(2,3-dihydropyridin-2-ylmethyl)-N-methylbutan-2-amine

N-(2,3-dihydropyridin-2-ylmethyl)-N-methylbutan-2-amine (PubChem CID 66612937) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is N-(2,3-dihydropyridin-2-ylmethyl)-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydropyridin-2-ylmethyl)-N-methylbutan-2-amine
PubChem CID66612937
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC NameN-(2,3-dihydropyridin-2-ylmethyl)-N-methylbutan-2-amine
SMILESCCC(C)N(C)CC1CC=CC=N1
InChIInChI=1S/C11H20N2/c1-4-10(2)13(3)9-11-7-5-6-8-12-11/h5-6,8,10-11H,4,7,9H2,1-3H3
InChIKeyQRFFCOBISWTVAZ-UHFFFAOYSA-N
XLogP2.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydropyridin-2-ylmethyl)-N-methylbutan-2-amine?
The IUPAC name of N-(2,3-dihydropyridin-2-ylmethyl)-N-methylbutan-2-amine (CID 66612937) is N-(2,3-dihydropyridin-2-ylmethyl)-N-methylbutan-2-amine.
What is the SMILES notation for N-(2,3-dihydropyridin-2-ylmethyl)-N-methylbutan-2-amine?
The canonical SMILES for N-(2,3-dihydropyridin-2-ylmethyl)-N-methylbutan-2-amine is CCC(C)N(C)CC1CC=CC=N1.
What is the InChIKey of N-(2,3-dihydropyridin-2-ylmethyl)-N-methylbutan-2-amine?
The InChIKey is QRFFCOBISWTVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-10(2)13(3)9-11-7-5-6-8-12-11/h5-6,8,10-11H,4,7,9H2,1-3H3.
What are the key properties of N-(2,3-dihydropyridin-2-ylmethyl)-N-methylbutan-2-amine?
N-(2,3-dihydropyridin-2-ylmethyl)-N-methylbutan-2-amine has a molecular weight of 180.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydropyridin-2-ylmethyl)-N-methylbutan-2-amine is sourced from PubChem (CID 66612937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).