4-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-3-amine

C11H16N2 — CID 130693325

IUPAC4-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-3-amine
SMILESCc1ccncc1NCC1CC1C
InChIInChI=1S/C11H16N2/c1-8-3-4-12-7-11(8)13-6-10-5-9(10)2/h3-4,7,9-10,13H,5-6H2,1-2H3
InChIKeyNTPSLNGQRZWNSB-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.46
Rot. Bonds3

About 4-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-3-amine

4-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-3-amine (PubChem CID 130693325) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name4-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-3-amine
PubChem CID130693325
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-3-amine
SMILESCc1ccncc1NCC1CC1C
InChIInChI=1S/C11H16N2/c1-8-3-4-12-7-11(8)13-6-10-5-9(10)2/h3-4,7,9-10,13H,5-6H2,1-2H3
InChIKeyNTPSLNGQRZWNSB-UHFFFAOYSA-N
XLogP2.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-3-amine?
The IUPAC name of 4-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-3-amine (CID 130693325) is 4-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-3-amine.
What is the SMILES notation for 4-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-3-amine?
The canonical SMILES for 4-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-3-amine is Cc1ccncc1NCC1CC1C.
What is the InChIKey of 4-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-3-amine?
The InChIKey is NTPSLNGQRZWNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8-3-4-12-7-11(8)13-6-10-5-9(10)2/h3-4,7,9-10,13H,5-6H2,1-2H3.
What are the key properties of 4-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-3-amine?
4-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-3-amine has a molecular weight of 176.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-3-amine is sourced from PubChem (CID 130693325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).