5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine

C17H31N3 — CID 107870528

IUPAC5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine
SMILESCNCc1ccc(N(CCC(C)C)CCC(C)C)nc1
InChIInChI=1S/C17H31N3/c1-14(2)8-10-20(11-9-15(3)4)17-7-6-16(12-18-5)13-19-17/h6-7,13-15,18H,8-12H2,1-5H3
InChIKeyRUYWTJUFJDPCAA-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.70
Rot. Bonds9

About 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine

5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine (PubChem CID 107870528) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine
PubChem CID107870528
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine
SMILESCNCc1ccc(N(CCC(C)C)CCC(C)C)nc1
InChIInChI=1S/C17H31N3/c1-14(2)8-10-20(11-9-15(3)4)17-7-6-16(12-18-5)13-19-17/h6-7,13-15,18H,8-12H2,1-5H3
InChIKeyRUYWTJUFJDPCAA-UHFFFAOYSA-N
XLogP3.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(methylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 62284274
N-methyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 62279559
5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazin-2-amine
CID 107871217
N-butan-2-yl-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62281072
N,N,N'-triethyl-N'-[5-(methylaminomethyl)-2-pyridinyl]propane-1,3-diamine
CID 102995293
N-ethyl-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62280400
N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 62284014
N-(2-methoxyethyl)-5-(methylaminomethyl)-N-prop-2-enylpyridin-2-amine
CID 103340163
N,N-dimethyl-N'-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-N'-propylethane-1,2-diamine
CID 62292737
2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]acetamide
CID 103103171
5-(bromomethyl)-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 107080869
5-(chloromethyl)-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 61378107

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine?
The IUPAC name of 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine (CID 107870528) is 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine.
What is the SMILES notation for 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine?
The canonical SMILES for 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine is CNCc1ccc(N(CCC(C)C)CCC(C)C)nc1.
What is the InChIKey of 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine?
The InChIKey is RUYWTJUFJDPCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-14(2)8-10-20(11-9-15(3)4)17-7-6-16(12-18-5)13-19-17/h6-7,13-15,18H,8-12H2,1-5H3.
What are the key properties of 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine?
5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine has a molecular weight of 277.46 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine is sourced from PubChem (CID 107870528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).