N-methyl-N-[(2-methylcyclopropyl)methyl]-5-(propylaminomethyl)pyridin-2-amine

C15H25N3 — CID 63864727

IUPACN-methyl-N-[(2-methylcyclopropyl)methyl]-5-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1ccc(N(C)CC2CC2C)nc1
InChIInChI=1S/C15H25N3/c1-4-7-16-9-13-5-6-15(17-10-13)18(3)11-14-8-12(14)2/h5-6,10,12,14,16H,4,7-9,11H2,1-3H3
InChIKeyWAOOQLWVBYTQIR-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.67
Rot. Bonds7

About N-methyl-N-[(2-methylcyclopropyl)methyl]-5-(propylaminomethyl)pyridin-2-amine

N-methyl-N-[(2-methylcyclopropyl)methyl]-5-(propylaminomethyl)pyridin-2-amine (PubChem CID 63864727) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-methyl-N-[(2-methylcyclopropyl)methyl]-5-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-methylcyclopropyl)methyl]-5-(propylaminomethyl)pyridin-2-amine
PubChem CID63864727
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-methyl-N-[(2-methylcyclopropyl)methyl]-5-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1ccc(N(C)CC2CC2C)nc1
InChIInChI=1S/C15H25N3/c1-4-7-16-9-13-5-6-15(17-10-13)18(3)11-14-8-12(14)2/h5-6,10,12,14,16H,4,7-9,11H2,1-3H3
InChIKeyWAOOQLWVBYTQIR-UHFFFAOYSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine
CID 55059023
N-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 62285989
N-cyclopropyl-N-ethyl-5-(propylaminomethyl)pyridin-2-amine
CID 62279551
N-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80630091
N-ethyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80630604
4-[[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]methyl]oxan-4-ol
CID 114950653
N-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 62293723
N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 62293758
N-(2-methoxyethyl)-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80632056
5-(ethylaminomethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 63274318
6-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80839586
N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 62293001

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylcyclopropyl)methyl]-5-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N-methyl-N-[(2-methylcyclopropyl)methyl]-5-(propylaminomethyl)pyridin-2-amine (CID 63864727) is N-methyl-N-[(2-methylcyclopropyl)methyl]-5-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-N-[(2-methylcyclopropyl)methyl]-5-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-N-[(2-methylcyclopropyl)methyl]-5-(propylaminomethyl)pyridin-2-amine is CCCNCc1ccc(N(C)CC2CC2C)nc1.
What is the InChIKey of N-methyl-N-[(2-methylcyclopropyl)methyl]-5-(propylaminomethyl)pyridin-2-amine?
The InChIKey is WAOOQLWVBYTQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-7-16-9-13-5-6-15(17-10-13)18(3)11-14-8-12(14)2/h5-6,10,12,14,16H,4,7-9,11H2,1-3H3.
What are the key properties of N-methyl-N-[(2-methylcyclopropyl)methyl]-5-(propylaminomethyl)pyridin-2-amine?
N-methyl-N-[(2-methylcyclopropyl)methyl]-5-(propylaminomethyl)pyridin-2-amine has a molecular weight of 247.39 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylcyclopropyl)methyl]-5-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 63864727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).