3-[(tert-butylamino)methyl]-N-cyclohexyl-N-methylpyridin-4-amine

C17H29N3 — CID 81249277

IUPAC3-[(tert-butylamino)methyl]-N-cyclohexyl-N-methylpyridin-4-amine
SMILESCN(c1ccncc1CNC(C)(C)C)C1CCCCC1
InChIInChI=1S/C17H29N3/c1-17(2,3)19-13-14-12-18-11-10-16(14)20(4)15-8-6-5-7-9-15/h10-12,15,19H,5-9,13H2,1-4H3
InChIKeyIFAYTGLIQJAFEL-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.74
Rot. Bonds4

About 3-[(tert-butylamino)methyl]-N-cyclohexyl-N-methylpyridin-4-amine

3-[(tert-butylamino)methyl]-N-cyclohexyl-N-methylpyridin-4-amine (PubChem CID 81249277) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-[(tert-butylamino)methyl]-N-cyclohexyl-N-methylpyridin-4-amine.

Molecular Properties

Compound Name3-[(tert-butylamino)methyl]-N-cyclohexyl-N-methylpyridin-4-amine
PubChem CID81249277
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name3-[(tert-butylamino)methyl]-N-cyclohexyl-N-methylpyridin-4-amine
SMILESCN(c1ccncc1CNC(C)(C)C)C1CCCCC1
InChIInChI=1S/C17H29N3/c1-17(2,3)19-13-14-12-18-11-10-16(14)20(4)15-8-6-5-7-9-15/h10-12,15,19H,5-9,13H2,1-4H3
InChIKeyIFAYTGLIQJAFEL-UHFFFAOYSA-N
XLogP3.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-N-methyl-3-(methylaminomethyl)pyridin-4-amine
CID 81247152
N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyridin-4-amine
CID 81249487
3-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-4-amine
CID 82754061
4-[(tert-butylamino)methyl]-N-cyclopropyl-N-methylpyridin-3-amine
CID 105072864
N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248504
N-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine
CID 63552828
N-cycloheptyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81247077
N-cyclohexyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81249376
2-[(tert-butylamino)methyl]-N-cyclohexyl-4-fluoro-N-methylaniline
CID 63551513
4-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethylpyridin-3-amine
CID 105072970
3-[(tert-butylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)pyridin-4-amine
CID 81246169
3-(chloromethyl)-N-cyclopropyl-N-methylpyridin-4-amine
CID 81238671

Frequently Asked Questions

What is the IUPAC name of 3-[(tert-butylamino)methyl]-N-cyclohexyl-N-methylpyridin-4-amine?
The IUPAC name of 3-[(tert-butylamino)methyl]-N-cyclohexyl-N-methylpyridin-4-amine (CID 81249277) is 3-[(tert-butylamino)methyl]-N-cyclohexyl-N-methylpyridin-4-amine.
What is the SMILES notation for 3-[(tert-butylamino)methyl]-N-cyclohexyl-N-methylpyridin-4-amine?
The canonical SMILES for 3-[(tert-butylamino)methyl]-N-cyclohexyl-N-methylpyridin-4-amine is CN(c1ccncc1CNC(C)(C)C)C1CCCCC1.
What is the InChIKey of 3-[(tert-butylamino)methyl]-N-cyclohexyl-N-methylpyridin-4-amine?
The InChIKey is IFAYTGLIQJAFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-17(2,3)19-13-14-12-18-11-10-16(14)20(4)15-8-6-5-7-9-15/h10-12,15,19H,5-9,13H2,1-4H3.
What are the key properties of 3-[(tert-butylamino)methyl]-N-cyclohexyl-N-methylpyridin-4-amine?
3-[(tert-butylamino)methyl]-N-cyclohexyl-N-methylpyridin-4-amine has a molecular weight of 275.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(tert-butylamino)methyl]-N-cyclohexyl-N-methylpyridin-4-amine is sourced from PubChem (CID 81249277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).