N-[2-(2-methylpropyl)cyclopropyl]-2,3,4,5-tetrahydropyridin-6-amine

C12H22N2 — CID 131185778

IUPACN-[2-(2-methylpropyl)cyclopropyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC(C)CC1CC1NC1=NCCCC1
InChIInChI=1S/C12H22N2/c1-9(2)7-10-8-11(10)14-12-5-3-4-6-13-12/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyFRYNEIUWPCSHIO-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.59
Rot. Bonds3

About N-[2-(2-methylpropyl)cyclopropyl]-2,3,4,5-tetrahydropyridin-6-amine

N-[2-(2-methylpropyl)cyclopropyl]-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 131185778) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[2-(2-methylpropyl)cyclopropyl]-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-[2-(2-methylpropyl)cyclopropyl]-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID131185778
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[2-(2-methylpropyl)cyclopropyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC(C)CC1CC1NC1=NCCCC1
InChIInChI=1S/C12H22N2/c1-9(2)7-10-8-11(10)14-12-5-3-4-6-13-12/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyFRYNEIUWPCSHIO-UHFFFAOYSA-N
XLogP2.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropyl)cyclopropyl]-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-[2-(2-methylpropyl)cyclopropyl]-2,3,4,5-tetrahydropyridin-6-amine (CID 131185778) is N-[2-(2-methylpropyl)cyclopropyl]-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-[2-(2-methylpropyl)cyclopropyl]-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-[2-(2-methylpropyl)cyclopropyl]-2,3,4,5-tetrahydropyridin-6-amine is CC(C)CC1CC1NC1=NCCCC1.
What is the InChIKey of N-[2-(2-methylpropyl)cyclopropyl]-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is FRYNEIUWPCSHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-9(2)7-10-8-11(10)14-12-5-3-4-6-13-12/h9-11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(2-methylpropyl)cyclopropyl]-2,3,4,5-tetrahydropyridin-6-amine?
N-[2-(2-methylpropyl)cyclopropyl]-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 194.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropyl)cyclopropyl]-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 131185778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).