N-[3-(6-methyl-3-pyridinyl)propoxy]methanamine

C10H16N2O — CID 155323830

IUPACN-[3-(6-methyl-3-pyridinyl)propoxy]methanamine
SMILESCNOCCCc1ccc(C)nc1
InChIInChI=1S/C10H16N2O/c1-9-5-6-10(8-12-9)4-3-7-13-11-2/h5-6,8,11H,3-4,7H2,1-2H3
InChIKeyKBRVQJULMKTQMO-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.47
Rot. Bonds5

About N-[3-(6-methyl-3-pyridinyl)propoxy]methanamine

N-[3-(6-methyl-3-pyridinyl)propoxy]methanamine (PubChem CID 155323830) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-[3-(6-methyl-3-pyridinyl)propoxy]methanamine.

Molecular Properties

Compound NameN-[3-(6-methyl-3-pyridinyl)propoxy]methanamine
PubChem CID155323830
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-[3-(6-methyl-3-pyridinyl)propoxy]methanamine
SMILESCNOCCCc1ccc(C)nc1
InChIInChI=1S/C10H16N2O/c1-9-5-6-10(8-12-9)4-3-7-13-11-2/h5-6,8,11H,3-4,7H2,1-2H3
InChIKeyKBRVQJULMKTQMO-UHFFFAOYSA-N
XLogP1.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(6-methyl-3-pyridinyl)propan-1-amine
CID 64503028
N-tert-butyl-4-(6-methyl-3-pyridinyl)butan-1-amine
CID 104823808
3-(6-methyl-3-pyridinyl)propylcarbamic acid
CID 118453961
2-(6-methyl-3-pyridinyl)ethylphosphonic acid
CID 3530330
5-[4-(4-methoxyphenyl)butoxy]-2-methylpyridine
CID 67874804
2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]acetamide
CID 47043979
4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749224
methoxymethane;(6-methyl-3-pyridinyl)methanol
CID 145375166
N-[3-(3-chlorophenyl)propoxy]methanamine
CID 117126890
5-(methoxymethoxymethyl)-2-methylpyridine
CID 10844808
methyl 2-amino-4-(6-methyl-3-pyridinyl)butanoate
CID 175233983
(6-methyl-3-pyridinyl)methanamine;hydrobromide
CID 133057273

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methyl-3-pyridinyl)propoxy]methanamine?
The IUPAC name of N-[3-(6-methyl-3-pyridinyl)propoxy]methanamine (CID 155323830) is N-[3-(6-methyl-3-pyridinyl)propoxy]methanamine.
What is the SMILES notation for N-[3-(6-methyl-3-pyridinyl)propoxy]methanamine?
The canonical SMILES for N-[3-(6-methyl-3-pyridinyl)propoxy]methanamine is CNOCCCc1ccc(C)nc1.
What is the InChIKey of N-[3-(6-methyl-3-pyridinyl)propoxy]methanamine?
The InChIKey is KBRVQJULMKTQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-9-5-6-10(8-12-9)4-3-7-13-11-2/h5-6,8,11H,3-4,7H2,1-2H3.
What are the key properties of N-[3-(6-methyl-3-pyridinyl)propoxy]methanamine?
N-[3-(6-methyl-3-pyridinyl)propoxy]methanamine has a molecular weight of 180.25 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methyl-3-pyridinyl)propoxy]methanamine is sourced from PubChem (CID 155323830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).