N-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine

C16H22N4 — CID 62283787

IUPACN-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine
SMILESCCCNCc1cccnc1N(C)Cc1ccccn1
InChIInChI=1S/C16H22N4/c1-3-9-17-12-14-7-6-11-19-16(14)20(2)13-15-8-4-5-10-18-15/h4-8,10-11,17H,3,9,12-13H2,1-2H3
InChIKeyMXWCRQKNKVAMMN-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.61
Rot. Bonds7

About N-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine

N-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine (PubChem CID 62283787) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine
PubChem CID62283787
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine
SMILESCCCNCc1cccnc1N(C)Cc1ccccn1
InChIInChI=1S/C16H22N4/c1-3-9-17-12-14-7-6-11-19-16(14)20(2)13-15-8-4-5-10-18-15/h4-8,10-11,17H,3,9,12-13H2,1-2H3
InChIKeyMXWCRQKNKVAMMN-UHFFFAOYSA-N
XLogP2.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.61
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

N-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62280397
N-methyl-3-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62283788
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
CID 62279941
4-fluoro-N-methyl-2-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 43565214
N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62284189
N-methyl-N-(2-methylsulfonylethyl)-3-(propylaminomethyl)pyridin-2-amine
CID 79858850
N-methyl-N-(2-methylphenyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62294632
N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62283165
N-(2-methoxyphenyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62281682
2-chloro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 81147198
2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 43565230
N-[[2-methyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62431761

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of N-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine (CID 62283787) is N-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine is CCCNCc1cccnc1N(C)Cc1ccccn1.
What is the InChIKey of N-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The InChIKey is MXWCRQKNKVAMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-9-17-12-14-7-6-11-19-16(14)20(2)13-15-8-4-5-10-18-15/h4-8,10-11,17H,3,9,12-13H2,1-2H3.
What are the key properties of N-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine?
N-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine has a molecular weight of 270.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 62283787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).