N-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine

C14H25N3 — CID 62285989

IUPACN-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine
SMILESCCCCN(C)c1ccc(CNCCC)cn1
InChIInChI=1S/C14H25N3/c1-4-6-10-17(3)14-8-7-13(12-16-14)11-15-9-5-2/h7-8,12,15H,4-6,9-11H2,1-3H3
InChIKeyCFMXSMQXKZEEDV-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.82
Rot. Bonds8

About N-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine

N-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine (PubChem CID 62285989) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine
PubChem CID62285989
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine
SMILESCCCCN(C)c1ccc(CNCCC)cn1
InChIInChI=1S/C14H25N3/c1-4-6-10-17(3)14-8-7-13(12-16-14)11-15-9-5-2/h7-8,12,15H,4-6,9-11H2,1-3H3
InChIKeyCFMXSMQXKZEEDV-UHFFFAOYSA-N
XLogP2.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.82
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

5-(bromomethyl)-N-butyl-N-methylpyridin-2-amine
CID 107079248
N-methyl-N-[(2-methylcyclopropyl)methyl]-5-(propylaminomethyl)pyridin-2-amine
CID 63864727
N-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80630091
N'-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 80636019
N-ethyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80630604
2-[[5-(ethylaminomethyl)-2-pyridinyl]-methylamino]ethanol
CID 80630489
N-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 62293723
4-[[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]methyl]oxan-4-ol
CID 114950653
N-butan-2-yl-N-butyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
CID 80632466
N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 62293758
N-methyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine
CID 55059023
N,N-dimethyl-2-[propyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80632298

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine (CID 62285989) is N-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine is CCCCN(C)c1ccc(CNCCC)cn1.
What is the InChIKey of N-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine?
The InChIKey is CFMXSMQXKZEEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-6-10-17(3)14-8-7-13(12-16-14)11-15-9-5-2/h7-8,12,15H,4-6,9-11H2,1-3H3.
What are the key properties of N-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine?
N-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62285989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).