1-(6-methyl-3-pyridinyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine

C14H22N2 — CID 104756480

IUPAC1-(6-methyl-3-pyridinyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
SMILESCc1ccc(CNCC2(C(C)C)CC2)cn1
InChIInChI=1S/C14H22N2/c1-11(2)14(6-7-14)10-15-8-13-5-4-12(3)16-9-13/h4-5,9,11,15H,6-8,10H2,1-3H3
InChIKeyZVUDEAWTCTXBEP-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.92
Rot. Bonds5

About 1-(6-methyl-3-pyridinyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine

1-(6-methyl-3-pyridinyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine (PubChem CID 104756480) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
PubChem CID104756480
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(6-methyl-3-pyridinyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
SMILESCc1ccc(CNCC2(C(C)C)CC2)cn1
InChIInChI=1S/C14H22N2/c1-11(2)14(6-7-14)10-15-8-13-5-4-12(3)16-9-13/h4-5,9,11,15H,6-8,10H2,1-3H3
InChIKeyZVUDEAWTCTXBEP-UHFFFAOYSA-N
XLogP2.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(6-methyl-3-pyridinyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine (CID 104756480) is 1-(6-methyl-3-pyridinyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine is Cc1ccc(CNCC2(C(C)C)CC2)cn1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
The InChIKey is ZVUDEAWTCTXBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(2)14(6-7-14)10-15-8-13-5-4-12(3)16-9-13/h4-5,9,11,15H,6-8,10H2,1-3H3.
What are the key properties of 1-(6-methyl-3-pyridinyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
1-(6-methyl-3-pyridinyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine has a molecular weight of 218.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 104756480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).