5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methyloxolan-3-yl)pyridin-2-amine

C17H29N3O — CID 82730336

IUPAC5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methyloxolan-3-yl)pyridin-2-amine
SMILESCc1cc(CNC(C)(C)C)cnc1N(C)C1CCOC1C
InChIInChI=1S/C17H29N3O/c1-12-9-14(11-19-17(3,4)5)10-18-16(12)20(6)15-7-8-21-13(15)2/h9-10,13,15,19H,7-8,11H2,1-6H3
InChIKeyXALIDSMMJMMEFM-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.89
Rot. Bonds4

About 5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methyloxolan-3-yl)pyridin-2-amine

5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methyloxolan-3-yl)pyridin-2-amine (PubChem CID 82730336) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methyloxolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methyloxolan-3-yl)pyridin-2-amine
PubChem CID82730336
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methyloxolan-3-yl)pyridin-2-amine
SMILESCc1cc(CNC(C)(C)C)cnc1N(C)C1CCOC1C
InChIInChI=1S/C17H29N3O/c1-12-9-14(11-19-17(3,4)5)10-18-16(12)20(6)15-7-8-21-13(15)2/h9-10,13,15,19H,7-8,11H2,1-6H3
InChIKeyXALIDSMMJMMEFM-UHFFFAOYSA-N
XLogP2.89
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 80631769
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine
CID 82734133
4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 82745889
2-N,4-N,5-trimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 82744646
1-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]propan-2-ol
CID 80635864
N'-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 80637710
5-[(tert-butylamino)methyl]-N,3-dimethyl-N-pentan-2-ylpyridin-2-amine
CID 80630255
5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 80636496
5-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidin-2-amine
CID 113388563
5-[(tert-butylamino)methyl]-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine
CID 62282283
2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]acetamide
CID 80630555
4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 82745995

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methyloxolan-3-yl)pyridin-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methyloxolan-3-yl)pyridin-2-amine (CID 82730336) is 5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methyloxolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methyloxolan-3-yl)pyridin-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methyloxolan-3-yl)pyridin-2-amine is Cc1cc(CNC(C)(C)C)cnc1N(C)C1CCOC1C.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methyloxolan-3-yl)pyridin-2-amine?
The InChIKey is XALIDSMMJMMEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-12-9-14(11-19-17(3,4)5)10-18-16(12)20(6)15-7-8-21-13(15)2/h9-10,13,15,19H,7-8,11H2,1-6H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methyloxolan-3-yl)pyridin-2-amine?
5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methyloxolan-3-yl)pyridin-2-amine has a molecular weight of 291.44 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methyloxolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 82730336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).