N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine

C16H28N4 — CID 105417609

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
SMILESCNCc1cnc(C)cc1N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H28N4/c1-13-9-15(14(10-17-2)11-18-13)20(5)12-16(19(3)4)7-6-8-16/h9,11,17H,6-8,10,12H2,1-5H3
InChIKeyADXOKQFRKDNXNH-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.03
Rot. Bonds6

About N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine

N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine (PubChem CID 105417609) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
PubChem CID105417609
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
SMILESCNCc1cnc(C)cc1N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H28N4/c1-13-9-15(14(10-17-2)11-18-13)20(5)12-16(19(3)4)7-6-8-16/h9,11,17H,6-8,10,12H2,1-5H3
InChIKeyADXOKQFRKDNXNH-UHFFFAOYSA-N
XLogP2.03
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine (CID 105417609) is N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine is CNCc1cnc(C)cc1N(C)CC1(N(C)C)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine?
The InChIKey is ADXOKQFRKDNXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-13-9-15(14(10-17-2)11-18-13)20(5)12-16(19(3)4)7-6-8-16/h9,11,17H,6-8,10,12H2,1-5H3.
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine?
N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine has a molecular weight of 276.43 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine is sourced from PubChem (CID 105417609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).