3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine

C13H23N3O — CID 62983904

IUPAC3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine
SMILESCOCCCN(C)c1nc(C)cc(C)c1CN
InChIInChI=1S/C13H23N3O/c1-10-8-11(2)15-13(12(10)9-14)16(3)6-5-7-17-4/h8H,5-7,9,14H2,1-4H3
InChIKeyCAHIGCXISHHGDP-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.63
Rot. Bonds6

About 3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine

3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine (PubChem CID 62983904) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine
PubChem CID62983904
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine
SMILESCOCCCN(C)c1nc(C)cc(C)c1CN
InChIInChI=1S/C13H23N3O/c1-10-8-11(2)15-13(12(10)9-14)16(3)6-5-7-17-4/h8H,5-7,9,14H2,1-4H3
InChIKeyCAHIGCXISHHGDP-UHFFFAOYSA-N
XLogP1.63
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 54994894
3-(aminomethyl)-N,4,6-trimethyl-N-(2-phenylethyl)pyridin-2-amine
CID 65484864
3-(aminomethyl)-N,4,6-trimethyl-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 79841926
3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,4,6-trimethylpyridin-2-amine
CID 61419922
3-(aminomethyl)-N,N-dibutyl-4,6-dimethylpyridin-2-amine
CID 61175355
1-[[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 114947854
6-(aminomethyl)-N-(3-methoxypropyl)-N-methylpyrazin-2-amine
CID 66450103
[2-[2-(3-methoxypropoxy)ethoxy]-4,6-dimethyl-3-pyridinyl]methanamine
CID 103176709
3-(aminomethyl)-N-(2,4-dimethylphenyl)-N,4,6-trimethylpyridin-2-amine
CID 62003686
3-(aminomethyl)-4,6-dimethyl-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 61176128
3-(aminomethyl)-N-(furan-2-ylmethyl)-N,4,6-trimethylpyridin-2-amine
CID 61176681
3-(aminomethyl)-N,4,6-trimethyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine
CID 61426321

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine (CID 62983904) is 3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine is COCCCN(C)c1nc(C)cc(C)c1CN.
What is the InChIKey of 3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine?
The InChIKey is CAHIGCXISHHGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-8-11(2)15-13(12(10)9-14)16(3)6-5-7-17-4/h8H,5-7,9,14H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine?
3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine is sourced from PubChem (CID 62983904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).