N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine

C17H26N2O — CID 99949243

IUPACN-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine
SMILESCC1(C)C[C@@H](CN(Cc2ccccn2)C2CC2)CCO1
InChIInChI=1S/C17H26N2O/c1-17(2)11-14(8-10-20-17)12-19(16-6-7-16)13-15-5-3-4-9-18-15/h3-5,9,14,16H,6-8,10-13H2,1-2H3/t14-/m0/s1
InChIKeyFAGHJQPDSNDAEX-AWEZNQCLSA-N
MW274.41 g/mol
LogP3.25
Rot. Bonds5

About N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine

N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine (PubChem CID 99949243) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine
PubChem CID99949243
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine
SMILESCC1(C)C[C@@H](CN(Cc2ccccn2)C2CC2)CCO1
InChIInChI=1S/C17H26N2O/c1-17(2)11-14(8-10-20-17)12-19(16-6-7-16)13-15-5-3-4-9-18-15/h3-5,9,14,16H,6-8,10-13H2,1-2H3/t14-/m0/s1
InChIKeyFAGHJQPDSNDAEX-AWEZNQCLSA-N
XLogP3.25
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4R)-2,2-dimethyloxan-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine
CID 99934815
N-ethyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 60806467
N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 43137570
1-N,1-N-bis(pyridin-2-ylmethyl)cyclohexane-1,3-diamine
CID 70873996
N-benzyl-N-(pyridin-2-ylmethyl)cyclohexanamine
CID 71881409
3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine
CID 79469541
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine
CID 46967234
4-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 115239884
3-[[[(4S)-2,2-dimethyloxan-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
CID 25447986
N-(pyridin-2-ylmethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine
CID 126787573
1-N-benzyl-1-N,2-N,2-N-tris(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 91027062
N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine chloride
CID 53351142

Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine (CID 99949243) is N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine is CC1(C)C[C@@H](CN(Cc2ccccn2)C2CC2)CCO1.
What is the InChIKey of N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine?
The InChIKey is FAGHJQPDSNDAEX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2)11-14(8-10-20-17)12-19(16-6-7-16)13-15-5-3-4-9-18-15/h3-5,9,14,16H,6-8,10-13H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine?
N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine has a molecular weight of 274.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 99949243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).