1-[(4R)-2,2-dimethyloxan-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine

C16H26N2O — CID 99934815

IUPAC1-[(4R)-2,2-dimethyloxan-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine
SMILESCc1cc(CN(C)C[C@@H]2CCOC(C)(C)C2)ccn1
InChIInChI=1S/C16H26N2O/c1-13-9-14(5-7-17-13)11-18(4)12-15-6-8-19-16(2,3)10-15/h5,7,9,15H,6,8,10-12H2,1-4H3/t15-/m1/s1
InChIKeyIGUWCMIRPNCSNX-OAHLLOKOSA-N
MW262.40 g/mol
LogP3.03
Rot. Bonds4

About 1-[(4R)-2,2-dimethyloxan-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine

1-[(4R)-2,2-dimethyloxan-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine (PubChem CID 99934815) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[(4R)-2,2-dimethyloxan-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-[(4R)-2,2-dimethyloxan-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine
PubChem CID99934815
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[(4R)-2,2-dimethyloxan-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine
SMILESCc1cc(CN(C)C[C@@H]2CCOC(C)(C)C2)ccn1
InChIInChI=1S/C16H26N2O/c1-13-9-14(5-7-17-13)11-18(4)12-15-6-8-19-16(2,3)10-15/h5,7,9,15H,6,8,10-12H2,1-4H3/t15-/m1/s1
InChIKeyIGUWCMIRPNCSNX-OAHLLOKOSA-N
XLogP3.03
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4R)-2,2-dimethyloxan-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
CID 154920630
4-[[cyclobutylmethyl(methyl)amino]methyl]pyridin-2-amine
CID 62861916
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-cyclopropyl-N-methylmethanamine
CID 63886876
N-ethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyridin-2-amine
CID 55228180
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,2-dimethyloxan-4-yl)-N-methylmethanamine
CID 77083073
N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine
CID 99949243
N-[(2-chloro-4-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine
CID 62045515
2,2-dimethyl-4-[(3-methylphenyl)methyl]oxane
CID 90245552
1-cyclobutyl-N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-methylmethanamine
CID 62862233
3-[[[(4S)-2,2-dimethyloxan-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
CID 25447986
N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(oxolan-3-yl)methanamine
CID 77095526
N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-[(3S)-piperidin-3-yl]methanamine
CID 97164520

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-2,2-dimethyloxan-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine?
The IUPAC name of 1-[(4R)-2,2-dimethyloxan-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine (CID 99934815) is 1-[(4R)-2,2-dimethyloxan-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-[(4R)-2,2-dimethyloxan-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-[(4R)-2,2-dimethyloxan-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine is Cc1cc(CN(C)C[C@@H]2CCOC(C)(C)C2)ccn1.
What is the InChIKey of 1-[(4R)-2,2-dimethyloxan-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine?
The InChIKey is IGUWCMIRPNCSNX-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-9-14(5-7-17-13)11-18(4)12-15-6-8-19-16(2,3)10-15/h5,7,9,15H,6,8,10-12H2,1-4H3/t15-/m1/s1.
What are the key properties of 1-[(4R)-2,2-dimethyloxan-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine?
1-[(4R)-2,2-dimethyloxan-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-2,2-dimethyloxan-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine is sourced from PubChem (CID 99934815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).