3-[[[(4S)-2,2-dimethyloxan-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine

C16H27N3O — CID 25447986

IUPAC3-[[[(4S)-2,2-dimethyloxan-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ncccc1CNC[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C16H27N3O/c1-16(2)10-13(7-9-20-16)11-17-12-14-6-5-8-18-15(14)19(3)4/h5-6,8,13,17H,7,9-12H2,1-4H3/t13-/m0/s1
InChIKeyXRPHHGFRZDRCKS-ZDUSSCGKSA-N
MW277.41 g/mol
LogP2.44
Rot. Bonds5

About 3-[[[(4S)-2,2-dimethyloxan-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine

3-[[[(4S)-2,2-dimethyloxan-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine (PubChem CID 25447986) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[[[(4S)-2,2-dimethyloxan-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-[[[(4S)-2,2-dimethyloxan-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
PubChem CID25447986
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-[[[(4S)-2,2-dimethyloxan-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ncccc1CNC[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C16H27N3O/c1-16(2)10-13(7-9-20-16)11-17-12-14-6-5-8-18-15(14)19(3)4/h5-6,8,13,17H,7,9-12H2,1-4H3/t13-/m0/s1
InChIKeyXRPHHGFRZDRCKS-ZDUSSCGKSA-N
XLogP2.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethyloxan-4-yl)-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]methanamine
CID 45251381
N,N-dimethyl-3-[(oxan-4-ylamino)methyl]pyridin-2-amine
CID 29153314
2-(cyclopropylmethylamino)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide;dihydrochloride
CID 119850355
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
CID 75473008
3-[(2,2-dimethylpropylamino)methyl]-N,N-dimethylpyridin-2-amine
CID 115607162
(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide
CID 25370039
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide
CID 119850358
N-cyclohexyl-3-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62285464
1-[(4R)-2,2-dimethyloxan-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine
CID 99934815
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea
CID 51082988
N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62284189
N,N-dimethyl-3-[(thiolan-3-ylamino)methyl]pyridin-2-amine
CID 115709441

Frequently Asked Questions

What is the IUPAC name of 3-[[[(4S)-2,2-dimethyloxan-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 3-[[[(4S)-2,2-dimethyloxan-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine (CID 25447986) is 3-[[[(4S)-2,2-dimethyloxan-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 3-[[[(4S)-2,2-dimethyloxan-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 3-[[[(4S)-2,2-dimethyloxan-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine is CN(C)c1ncccc1CNC[C@H]1CCOC(C)(C)C1.
What is the InChIKey of 3-[[[(4S)-2,2-dimethyloxan-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is XRPHHGFRZDRCKS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27N3O/c1-16(2)10-13(7-9-20-16)11-17-12-14-6-5-8-18-15(14)19(3)4/h5-6,8,13,17H,7,9-12H2,1-4H3/t13-/m0/s1.
What are the key properties of 3-[[[(4S)-2,2-dimethyloxan-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine?
3-[[[(4S)-2,2-dimethyloxan-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(4S)-2,2-dimethyloxan-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 25447986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).