N-(1-cyclopropylethyl)-2,4-dimethyl-3,4-dihydropyridin-3-amine

C12H20N2 — CID 139321602

IUPACN-(1-cyclopropylethyl)-2,4-dimethyl-3,4-dihydropyridin-3-amine
SMILESCC1=NC=CC(C)C1NC(C)C1CC1
InChIInChI=1S/C12H20N2/c1-8-6-7-13-10(3)12(8)14-9(2)11-4-5-11/h6-9,11-12,14H,4-5H2,1-3H3
InChIKeyNYWPRFOXZADIAU-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.37
Rot. Bonds3

About N-(1-cyclopropylethyl)-2,4-dimethyl-3,4-dihydropyridin-3-amine

N-(1-cyclopropylethyl)-2,4-dimethyl-3,4-dihydropyridin-3-amine (PubChem CID 139321602) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2,4-dimethyl-3,4-dihydropyridin-3-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2,4-dimethyl-3,4-dihydropyridin-3-amine
PubChem CID139321602
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-(1-cyclopropylethyl)-2,4-dimethyl-3,4-dihydropyridin-3-amine
SMILESCC1=NC=CC(C)C1NC(C)C1CC1
InChIInChI=1S/C12H20N2/c1-8-6-7-13-10(3)12(8)14-9(2)11-4-5-11/h6-9,11-12,14H,4-5H2,1-3H3
InChIKeyNYWPRFOXZADIAU-UHFFFAOYSA-N
XLogP2.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2,4-dimethyl-3,4-dihydropyridin-3-amine?
The IUPAC name of N-(1-cyclopropylethyl)-2,4-dimethyl-3,4-dihydropyridin-3-amine (CID 139321602) is N-(1-cyclopropylethyl)-2,4-dimethyl-3,4-dihydropyridin-3-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-2,4-dimethyl-3,4-dihydropyridin-3-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-2,4-dimethyl-3,4-dihydropyridin-3-amine is CC1=NC=CC(C)C1NC(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2,4-dimethyl-3,4-dihydropyridin-3-amine?
The InChIKey is NYWPRFOXZADIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-8-6-7-13-10(3)12(8)14-9(2)11-4-5-11/h6-9,11-12,14H,4-5H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-2,4-dimethyl-3,4-dihydropyridin-3-amine?
N-(1-cyclopropylethyl)-2,4-dimethyl-3,4-dihydropyridin-3-amine has a molecular weight of 192.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2,4-dimethyl-3,4-dihydropyridin-3-amine is sourced from PubChem (CID 139321602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).