N-methyl-5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridin-4-amine

C12H24N2 — CID 90075875

IUPACN-methyl-5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridin-4-amine
SMILESCNC1CCNC(C(C)C)=C1C(C)C
InChIInChI=1S/C12H24N2/c1-8(2)11-10(13-5)6-7-14-12(11)9(3)4/h8-10,13-14H,6-7H2,1-5H3
InChIKeyBBCHEAKKLMEDQU-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.13
Rot. Bonds3

About N-methyl-5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridin-4-amine

N-methyl-5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridin-4-amine (PubChem CID 90075875) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-methyl-5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridin-4-amine.

Molecular Properties

Compound NameN-methyl-5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridin-4-amine
PubChem CID90075875
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-methyl-5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridin-4-amine
SMILESCNC1CCNC(C(C)C)=C1C(C)C
InChIInChI=1S/C12H24N2/c1-8(2)11-10(13-5)6-7-14-12(11)9(3)4/h8-10,13-14H,6-7H2,1-5H3
InChIKeyBBCHEAKKLMEDQU-UHFFFAOYSA-N
XLogP2.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridin-4-amine?
The IUPAC name of N-methyl-5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridin-4-amine (CID 90075875) is N-methyl-5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridin-4-amine.
What is the SMILES notation for N-methyl-5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridin-4-amine?
The canonical SMILES for N-methyl-5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridin-4-amine is CNC1CCNC(C(C)C)=C1C(C)C.
What is the InChIKey of N-methyl-5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridin-4-amine?
The InChIKey is BBCHEAKKLMEDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-8(2)11-10(13-5)6-7-14-12(11)9(3)4/h8-10,13-14H,6-7H2,1-5H3.
What are the key properties of N-methyl-5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridin-4-amine?
N-methyl-5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridin-4-amine has a molecular weight of 196.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridin-4-amine is sourced from PubChem (CID 90075875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).