3-[(cyclopropylamino)methyl]-N,4,6-trimethyl-N-(3-methylbutan-2-yl)pyridin-2-amine

C17H29N3 — CID 62281698

IUPAC3-[(cyclopropylamino)methyl]-N,4,6-trimethyl-N-(3-methylbutan-2-yl)pyridin-2-amine
SMILESCc1cc(C)c(CNC2CC2)c(N(C)C(C)C(C)C)n1
InChIInChI=1S/C17H29N3/c1-11(2)14(5)20(6)17-16(10-18-15-7-8-15)12(3)9-13(4)19-17/h9,11,14-15,18H,7-8,10H2,1-6H3
InChIKeyKQPFYYCJVLLVAQ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.43
Rot. Bonds6

About 3-[(cyclopropylamino)methyl]-N,4,6-trimethyl-N-(3-methylbutan-2-yl)pyridin-2-amine

3-[(cyclopropylamino)methyl]-N,4,6-trimethyl-N-(3-methylbutan-2-yl)pyridin-2-amine (PubChem CID 62281698) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-N,4,6-trimethyl-N-(3-methylbutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-N,4,6-trimethyl-N-(3-methylbutan-2-yl)pyridin-2-amine
PubChem CID62281698
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name3-[(cyclopropylamino)methyl]-N,4,6-trimethyl-N-(3-methylbutan-2-yl)pyridin-2-amine
SMILESCc1cc(C)c(CNC2CC2)c(N(C)C(C)C(C)C)n1
InChIInChI=1S/C17H29N3/c1-11(2)14(5)20(6)17-16(10-18-15-7-8-15)12(3)9-13(4)19-17/h9,11,14-15,18H,7-8,10H2,1-6H3
InChIKeyKQPFYYCJVLLVAQ-UHFFFAOYSA-N
XLogP3.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(cyclopropylamino)methyl]-N,4,6-trimethyl-N-propylpyridin-2-amine
CID 62279849
N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-ethyl-4,6-dimethylpyridin-2-amine
CID 55054869
3-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-4,6-dimethylpyridin-2-amine
CID 63940645
3-[(cyclopropylamino)methyl]-N-ethyl-4,6-dimethyl-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 62279990
3-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N,4,6-trimethylpyridin-2-amine
CID 62281532
N-[[2-(4,5-dimethylimidazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine
CID 62351327
N-butan-2-yl-3-(ethylaminomethyl)-N,4,6-trimethylpyridin-2-amine
CID 62280727
N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine
CID 62294480
N-[(4,6-dimethyl-2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanamine
CID 55059747
3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,4,6-trimethylpyridin-2-amine
CID 55006873
N-[(2-butoxy-4,6-dimethyl-3-pyridinyl)methyl]cyclopropanamine
CID 62290425
N,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-N-pentan-3-ylpyridin-2-amine
CID 63487572

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-N,4,6-trimethyl-N-(3-methylbutan-2-yl)pyridin-2-amine?
The IUPAC name of 3-[(cyclopropylamino)methyl]-N,4,6-trimethyl-N-(3-methylbutan-2-yl)pyridin-2-amine (CID 62281698) is 3-[(cyclopropylamino)methyl]-N,4,6-trimethyl-N-(3-methylbutan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-N,4,6-trimethyl-N-(3-methylbutan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-N,4,6-trimethyl-N-(3-methylbutan-2-yl)pyridin-2-amine is Cc1cc(C)c(CNC2CC2)c(N(C)C(C)C(C)C)n1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-N,4,6-trimethyl-N-(3-methylbutan-2-yl)pyridin-2-amine?
The InChIKey is KQPFYYCJVLLVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-11(2)14(5)20(6)17-16(10-18-15-7-8-15)12(3)9-13(4)19-17/h9,11,14-15,18H,7-8,10H2,1-6H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-N,4,6-trimethyl-N-(3-methylbutan-2-yl)pyridin-2-amine?
3-[(cyclopropylamino)methyl]-N,4,6-trimethyl-N-(3-methylbutan-2-yl)pyridin-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-N,4,6-trimethyl-N-(3-methylbutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 62281698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).